{
 "cells": [
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "# Solution of the atom within LDA"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "First we take the code from the Hydrogen project and adopt it."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "metadata": {
    "collapsed": true
   },
   "outputs": [],
   "source": [
    "from scipy import *\n",
    "from scipy import integrate\n",
    "from scipy import interpolate\n",
    "from scipy import optimize\n",
    "from scipy import weave\n",
    "\n",
    "def Numerovc(f, x0_, dx, dh_):\n",
    "    code_Numerov=\"\"\"\n",
    "    double h2 = dh*dh;\n",
    "    double h12 = h2/12.;\n",
    "    \n",
    "    double w0 = x(0)*(1-h12*f(0));\n",
    "    double w1 = x(1)*(1-h12*f(1));\n",
    "    double xi = x(1);\n",
    "    double fi = f(1);\n",
    "    for (int i=2; i<f.size(); i++){\n",
    "        double w2 = 2*w1-w0+h2*fi*xi;  // here fi=f1\n",
    "        fi = f(i);                     // fi=f2\n",
    "        xi = w2/(1-h12*fi);\n",
    "        x(i)=xi;\n",
    "        w0 = w1;\n",
    "        w1 = w2;\n",
    "    }\n",
    "    \"\"\"\n",
    "    x = zeros(len(f))\n",
    "    dh=float(dh_)\n",
    "    x[0]=x0_\n",
    "    x[1]=x0_+dh*dx\n",
    "    weave.inline(code_Numerov, ['f','dh','x'], type_converters=weave.converters.blitz, compiler = 'gcc')\n",
    "    return x\n",
    "\n",
    "def fSchrod(En, l, R):\n",
    "    return l*(l+1.)/R**2-2./R-En\n",
    "\n",
    "def ComputeSchrod(En,R,l):\n",
    "    \"Computes Schrod Eq.\" \n",
    "    f = fSchrod(En,l,R[::-1])\n",
    "    ur = Numerovc(f,0.0,-1e-7,-R[1]+R[0])[::-1]\n",
    "    norm = integrate.simps(ur**2,x=R)\n",
    "    return ur*1/sqrt(abs(norm))\n",
    "\n",
    "def Shoot(En,R,l):\n",
    "    ur = ComputeSchrod(En,R,l)\n",
    "    ur = ur/R**l\n",
    "    f0 = ur[0]\n",
    "    f1 = ur[1]\n",
    "    f_at_0 = f0 + (f1-f0)*(0.0-R[0])/(R[1]-R[0])\n",
    "    return f_at_0\n",
    "\n",
    "def FindBoundStates(R,l,nmax,Esearch):\n",
    "    n=0\n",
    "    Ebnd=[]\n",
    "    u0 = Shoot(Esearch[0],R,l)\n",
    "    for i in range(1,len(Esearch)):\n",
    "        u1 = Shoot(Esearch[i],R,l)\n",
    "        if u0*u1<0:\n",
    "            Ebound = optimize.brentq(Shoot,Esearch[i-1],Esearch[i],xtol=1e-16,args=(R,l))\n",
    "            Ebnd.append((l,Ebound))\n",
    "            if len(Ebnd)>nmax: break\n",
    "            n+=1\n",
    "            print 'Found bound state at E=%14.9f E_exact=%14.9f l=%d' % (Ebound, -1.0/(n+l)**2,l)\n",
    "        u0=u1\n",
    "    \n",
    "    return Ebnd\n",
    "\n",
    "def cmpE(x,y):\n",
    "    if abs(x[1]-y[1])>1e-4:\n",
    "        return cmp(x[1],y[1])\n",
    "    else:\n",
    "        return cmp(x[0],y[0])\n",
    "\n",
    "# This is slightly modified code from Hydrogen project\n",
    "def ChargeDensity(bst,R,Zatom):\n",
    "    rho = zeros( len(R) )\n",
    "    N=0\n",
    "    for i,(l,Ei) in enumerate(bst):\n",
    "        dN = 2*(2*l+1)\n",
    "        if N+dN<Zatom:\n",
    "            ferm=1\n",
    "        else:\n",
    "            ferm = (Zatom-N)/float(dN)\n",
    "        u = ComputeSchrod(Ei,R,l)\n",
    "        drho = u**2 / (4*pi*R**2) * dN * ferm\n",
    "        rho += drho\n",
    "        N += dN\n",
    "        print 'Adding state with l=', l, 'and E=', Ei, 'with Z=', N, 'with ferm=', ferm\n",
    "        if N>=Zatom: break\n",
    "    return rho\n",
    "    "
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Found bound state at E=  -0.999922109 E_exact=  -1.000000000 l=0\n",
      "Found bound state at E=  -0.249990190 E_exact=  -0.250000000 l=0\n",
      "Found bound state at E=  -0.111108201 E_exact=  -0.111111111 l=0\n",
      "Found bound state at E=  -0.062498772 E_exact=  -0.062500000 l=0\n",
      "Found bound state at E=  -0.039999314 E_exact=  -0.040000000 l=0\n",
      "Found bound state at E=  -0.250000016 E_exact=  -0.250000000 l=1\n",
      "Found bound state at E=  -0.111111117 E_exact=  -0.111111111 l=1\n",
      "Found bound state at E=  -0.062500003 E_exact=  -0.062500000 l=1\n",
      "Found bound state at E=  -0.039999959 E_exact=  -0.040000000 l=1\n",
      "Found bound state at E=  -0.111111111 E_exact=  -0.111111111 l=2\n",
      "Found bound state at E=  -0.062500000 E_exact=  -0.062500000 l=2\n",
      "Found bound state at E=  -0.039999977 E_exact=  -0.040000000 l=2\n",
      "Found bound state at E=  -0.062500000 E_exact=  -0.062500000 l=3\n",
      "Found bound state at E=  -0.039999992 E_exact=  -0.040000000 l=3\n",
      "Adding state with l= 0 and E= -0.999922108956 with Z= 2 with ferm= 1\n",
      "Adding state with l= 0 and E= -0.249990190207 with Z= 4 with ferm= 1\n",
      "Adding state with l= 1 and E= -0.250000015612 with Z= 10 with ferm= 1\n",
      "Adding state with l= 0 and E= -0.111108200823 with Z= 12 with ferm= 1\n",
      "Adding state with l= 1 and E= -0.111111116781 with Z= 18 with ferm= 1\n",
      "Adding state with l= 2 and E= -0.111111111147 with Z= 28 with ferm= 1.0\n"
     ]
    },
    {
     "data": {
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Jeve21fgilS0rC665Bvbe20LCkiV2JoWaRolIaTSSEMjXX9t+9v79Q1cimebUU21RY34+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\niUkhQURERGL6f/5yckOpvBdaAAAAAElFTkSuQmCC\n",
      "text/plain": [
       "<matplotlib.figure.Figure at 0x11168cd10>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "Esearch = -1.2/arange(1,20,0.2)**2\n",
    "\n",
    "R = linspace(1e-8,100,2000)\n",
    "\n",
    "nmax=5\n",
    "Bnd=[]\n",
    "for l in range(nmax-1):\n",
    "    Bnd += FindBoundStates(R,l,nmax-l,Esearch)\n",
    "    \n",
    "Bnd.sort(cmpE)\n",
    "\n",
    "Zatom=28  # Like Ni ion\n",
    "rho = ChargeDensity(Bnd,R,Zatom)\n",
    "\n",
    "from pylab import *\n",
    "%matplotlib inline\n",
    "\n",
    "plot(R,rho*(4*pi*R**2),label='charge density')\n",
    "xlim([0,25])\n",
    "show()\n",
    "\n"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 4,
   "metadata": {
    "collapsed": true
   },
   "outputs": [],
   "source": [
    "def FuncForHartree(y,r,rhoSpline):\n",
    "    return [y[1], -8*pi*r*rhoSpline(r)]"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 5,
   "metadata": {
    "collapsed": false
   },
   "outputs": [],
   "source": [
    "rhoSpline = interpolate.UnivariateSpline(R,rho,s=0)\n",
    "U1 = integrate.odeint(FuncForHartree, [0.0,5.], R, args=(rhoSpline,))[:,0]\n",
    "alpha = (2*Zatom-U1[-1])/R[-1]\n",
    "U1 += alpha*R"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 6,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "image/png": 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OQYYNG0Yul2v3qK2tfefzrdWroXdvWLRobtHFOsaMGdPpFqVNTU3kcjlaWlra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\nBBERESnq/wMZSv2s+M+llwAAAABJRU5ErkJggg==\n",
      "text/plain": [
       "<matplotlib.figure.Figure at 0x1103c6f10>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "plot(R,U1)\n",
    "grid()\n",
    "show()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 7,
   "metadata": {
    "collapsed": true
   },
   "outputs": [],
   "source": [
    "def NumerovU(U, x0, dx, dt):\n",
    "    code_NumerovU=\"\"\"\n",
    "      double h2 = dt;\n",
    "      h2 = h2*h2;\n",
    "      double h12 = h2/12;\n",
    "      \n",
    "      double w0 = x(0)-h12*U(0);\n",
    "      double w1 = x(1)-h12*U(1);\n",
    "      double xi = x(1);\n",
    "      double Ux = U(1);\n",
    "      \n",
    "      for (int i=2; i<U.size(); i++){\n",
    "        double w2 = 2*w1 - w0 + h2*Ux;\n",
    "        Ux = U(i);\n",
    "        xi = w2+h12*Ux;\n",
    "        x(i) = xi;\n",
    "        w0 = w1;\n",
    "        w1 = w2;\n",
    "      }\n",
    "    \"\"\"\n",
    "    x = zeros(len(U))\n",
    "    x[0] = x0          # first point\n",
    "    x[1] = dx*dt + x0  # second point\n",
    "    \n",
    "    weave.inline(code_NumerovU, ['U', 'x', 'dt'], type_converters=weave.converters.blitz, compiler = 'gcc')\n",
    "    return x"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 8,
   "metadata": {
    "collapsed": true
   },
   "outputs": [],
   "source": [
    "ux = -8*pi*R*rho\n",
    "U2 = NumerovU(ux, 0.0, 0.1, R[1]-R[0])\n",
    "alpha2 = (2*Zatom-U2[-1])/R[-1]\n",
    "U2 += alpha2*R\n"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 9,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "image/png": 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+qfN4KdiPQL6xZQU99o2ib+/i0FEKkj6m5J8690+d+6fO46Vgh4R19SsYhE41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\n2wAAAABJRU5ErkJggg==\n",
      "text/plain": [
       "<matplotlib.figure.Figure at 0x113e36150>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "plot(R,U1)\n",
    "plot(R,U2)\n",
    "grid()\n",
    "show()\n"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "Next we add exchange correlation potential. Make sure \"excor.py\" is in your working directory, so that we can import it."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 10,
   "metadata": {
    "collapsed": false
   },
   "outputs": [],
   "source": [
    "from excor import ExchangeCorrelation\n",
    "exc = ExchangeCorrelation()\n",
    "def rs(rho):\n",
    "    \"Given density, returns rs.\"\n",
    "    if rho<1e-100: return 1e100\n",
    "    return pow(3/(4*pi*rho),1/3.)\n",
    "\n",
    "Vxc = [2*exc.Vx(rs(rh)) + 2*exc.Vc(rs(rh)) for rh in rho]\n",
    "\n",
    "Uks = U2-2*Zatom + Vxc*R\n"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 11,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "data": {
      "image/png": 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18W62v//979Flp5xySqn11vb9Vvcz0pB9X1UtEydOZMGCBQCldjmWXUfZ719F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\nWldycrIbPXq0++yzz1zPnj3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      "text/plain": [
       "<matplotlib.figure.Figure at 0x113e9eed0>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "data": {
      "image/png": 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5zh44Rc6RNHKOZpB3IpNLpzOxpmWiMjPwOZuJX3YmtXIyCcrLIPhSJnWsmYSQ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\nIiIh8f+19OMbReIjeAAAAABJRU5ErkJggg==\n",
      "text/plain": [
       "<matplotlib.figure.Figure at 0x113ee7850>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "plot(R,Vxc, label='Exchange-correlation contribution to U')\n",
    "legend(loc='best')\n",
    "show()\n",
    "\n",
    "plot(R,Vxc*R,label='Exchange-correlation contribution')\n",
    "plot(R,U2,label='Hartree contribution')\n",
    "plot(R,Uks, label='Uks')\n",
    "legend(loc='best')\n",
    "grid()\n",
    "show()"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "Now it is time to reorganize the code and feed Hartree+Exchange correlation back to the Schroedinger equation.\n"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 12,
   "metadata": {
    "collapsed": true
   },
   "outputs": [],
   "source": [
    "from scipy import *\n",
    "from scipy import integrate\n",
    "from scipy import interpolate\n",
    "from scipy import optimize\n",
    "from scipy import weave\n",
    "\n",
    "def Numerovc(f, x0_, dx, dh_):\n",
    "    code_Numerov=\"\"\"\n",
    "    double h2 = dh*dh;\n",
    "    double h12 = h2/12.;\n",
    "    \n",
    "    double w0 = x(0)*(1-h12*f(0));\n",
    "    double w1 = x(1)*(1-h12*f(1));\n",
    "    double xi = x(1);\n",
    "    double fi = f(1);\n",
    "    for (int i=2; i<f.size(); i++){\n",
    "        double w2 = 2*w1-w0+h2*fi*xi;  // here fi=f1\n",
    "        fi = f(i);                     // fi=f2\n",
    "        xi = w2/(1-h12*fi);\n",
    "        x(i)=xi;\n",
    "        w0 = w1;\n",
    "        w1 = w2;\n",
    "    }\n",
    "    \"\"\"\n",
    "    x = zeros(len(f))\n",
    "    dh=float(dh_)\n",
    "    x[0]=x0_\n",
    "    x[1]=x0_+dh*dx\n",
    "    weave.inline(code_Numerov, ['f','dh','x'], type_converters=weave.converters.blitz, compiler = 'gcc')\n",
    "    return x\n",
    "\n",
    "def NumerovU(U, x0, dx, dt):\n",
    "    code_NumerovU=\"\"\"\n",
    "      double h2 = dt;\n",
    "      h2 = h2*h2;\n",
    "      double h12 = h2/12;\n",
    "      \n",
    "      double w0 = x(0)-h12*U(0);\n",
    "      double w1 = x(1)-h12*U(1);\n",
    "      double xi = x(1);\n",
    "      double Ux = U(1);\n",
    "      \n",
    "      for (int i=2; i<U.size(); i++){\n",
    "        double w2 = 2*w1 - w0 + h2*Ux;\n",
    "        Ux = U(i);\n",
    "        xi = w2+h12*Ux;\n",
    "        x(i) = xi;\n",
    "        w0 = w1;\n",
    "        w1 = w2;\n",
    "      }\n",
    "    \"\"\"\n",
    "    x = zeros(len(U))\n",
    "    x[0] = x0          # first point\n",
    "    x[1] = dx*dt + x0  # second point\n",
    "    \n",
    "    weave.inline(code_NumerovU, ['U', 'x', 'dt'], type_converters=weave.converters.blitz, compiler = 'gcc')\n",
    "    return x\n",
    "\n",
    "def fSchrod2(En, R, l, Uks):\n",
    "    return l*(l+1.)/R**2 + Uks/R - En\n",
    "    #return l*(l+1.)/R**2-2./R-En\n",
    "\n",
    "def ComputeSchrod(En,R,l,Uks):\n",
    "    \"Computes Schrod Eq.\" \n",
    "    f = fSchrod2(En,R[::-1],l,Uks[::-1])  # do not forget to turn around Uks!\n",
    "    ur = Numerovc(f,0.0,-1e-7,-R[1]+R[0])[::-1]\n",
    "    norm = integrate.simps(ur**2,x=R)\n",
    "    return ur*1/sqrt(abs(norm))\n",
    "\n",
    "def Shoot(En,R,l,Uks):\n",
    "    ur = ComputeSchrod(En,R,l,Uks)\n",
    "    #ur = ur/R**l\n",
    "    f0 = ur[0]\n",
    "    f1 = ur[1]\n",
    "    f_at_0 = f0 + (f1-f0)*(0.0-R[0])/(R[1]-R[0])\n",
    "    return f_at_0\n",
    "\n",
    "def FindBoundStates(R,l,nmax,Esearch,Uks):\n",
    "    n=0\n",
    "    Ebnd=[]\n",
    "    u0 = Shoot(Esearch[0],R,l,Uks)\n",
    "    for i in range(1,len(Esearch)):\n",
    "        u1 = Shoot(Esearch[i],R,l,Uks)\n",
    "        #print 'looking at energy', Esearch[i], u0,u1\n",
    "        if u0*u1<0:\n",
    "            Ebound = optimize.brentq(Shoot,Esearch[i-1],Esearch[i],xtol=1e-16,args=(R,l,Uks))\n",
    "            Ebnd.append((l,Ebound))\n",
    "            if len(Ebnd)>nmax: break\n",
    "            n+=1\n",
    "            print 'Found bound state at E=%14.9f E_exact=%14.9f l=%d' % (Ebound, -1.0/(n+l)**2,l)\n",
    "        u0=u1\n",
    "    return Ebnd\n",
    "\n",
    "def cmpE(x,y):\n",
    "    if abs(x[1]-y[1])>1e-4:\n",
    "        return cmp(x[1],y[1])\n",
    "    else:\n",
    "        return cmp(x[0],y[0])\n",
    "\n",
    "# This is slightly modified code from Hydrogen project\n",
    "def ChargeDensity(bst,R,Zatom,Uks):\n",
    "    rho = zeros( len(R) )\n",
    "    N=0\n",
    "    for i,(l,Ei) in enumerate(bst):\n",
    "        dN = 2*(2*l+1)\n",
    "        if N+dN<Zatom:\n",
    "            ferm=1\n",
    "        else:\n",
    "            ferm = (Zatom-N)/float(dN)\n",
    "        u = ComputeSchrod(Ei,R,l,Uks)\n",
    "        drho = u**2 / (4*pi*R**2) * dN * ferm\n",
    "        rho += drho\n",
    "        N += dN\n",
    "        print 'Adding state with l=', l, 'and E=', Ei/2, ' Hartree with Z=', N, 'with ferm=', ferm\n",
    "        if N>=Zatom: break\n",
    "    return rho\n",
    "    \n",
    "    \n",
    "def HartreeU(R, rho):\n",
    "    ux = -8*pi*R*rho\n",
    "    dudx=0.1\n",
    "    U = NumerovU(ux, 0.0, dudx, R[1]-R[0])\n",
    "    alpha2 = (2*Zatom-U[-1])/R[-1]\n",
    "    U += alpha2*R\n",
    "    return U\n",
    "\n",
    "def rs(rho):\n",
    "    \"Given density, returns rs.\"\n",
    "    if rho<1e-100: return 1e100\n",
    "    return pow(3/(4*pi*rho),1/3.)\n"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 13,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Found bound state at E=  -0.999998807 E_exact=  -1.000000000 l=0\n",
      "Found bound state at E=  -0.249999851 E_exact=  -0.250000000 l=0\n",
      "Adding state with l= 0 and E= -0.499999403471  Hartree with Z= 2 with ferm= 1\n",
      "Adding state with l= 0 and E= -0.124999925296  Hartree with Z= 4 with ferm= 1.0\n",
      "Total density has weight= 4.0\n"
     ]
    },
    {
     "data": {
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/IpFI0CUkHGXunjJ3T5mHVyiag4IC71l7DvwxcuTIoEtIOMrcPWXunjIPr9A0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\n0wj3Vjj1VNiwAWoELSIiEu8Cu7eCtXY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      "text/plain": [
       "<matplotlib.figure.Figure at 0x1144ce6d0>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "data": {
      "image/png": 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      "text/plain": [
       "<matplotlib.figure.Figure at 0x114841490>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Found bound state at E= -12.847578370 E_exact=  -1.000000000 l=0\n",
      "Found bound state at E=  -1.592504356 E_exact=  -0.250000000 l=0\n",
      "Adding state with l= 0 and E= -6.42378918503  Hartree with Z= 2 with ferm= 1\n",
      "Adding state with l= 0 and E= -0.796252177996  Hartree with Z= 4 with ferm= 1.0\n",
      "Total density has weight= 4.0\n"
     ]
    },
    {
     "data": {
      "image/png": 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SiUTIy8uLWT516lRGjx4ds6yoqIhIJFJt+CwrK2uP1/j269cvcO8jLS0tLt4H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\nREREJMb/Bx4thAAW+yJ3AAAAAElFTkSuQmCC\n",
      "text/plain": [
       "<matplotlib.figure.Figure at 0x1146215d0>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "data": {
      "image/png": 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F76g3z5EkqQG8lr4kSQ1g4EuS1AAGviRJDWDgS5LUAAa+JEkNYOBLktQABr4k\nSQ1g4EuS1AAGviRJDWDgS5LUAAa+JEkN8P8AjaCNR1XrSAQAAAAASUVORK5CYII=\n",
      "text/plain": [
       "<matplotlib.figure.Figure at 0x1149ab950>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "\n",
    "R = linspace(1e-8,50,2**12+1) # so that we can use Romberg method\n",
    "\n",
    "nmax = 2\n",
    "Zatom = 4\n",
    "\n",
    "E0=-1.2*Zatom**2\n",
    "Eshift=0.5 # sometimes energies can be positive!!!                                                                                                                        \n",
    "Esearch = -logspace(-4,log10(-E0+Eshift),200)[::-1] + Eshift\n",
    "\n",
    "exc = ExchangeCorrelation()\n",
    "Uks = -2.*ones( len(R) )     # First iteration like hydrogen atom\n",
    "\n",
    "for itt in range(2):\n",
    "    Bnd=[]\n",
    "    for l in range(nmax-1):\n",
    "        Bnd += FindBoundStates(R,l,nmax-l,Esearch,Uks)\n",
    "    Bnd.sort( cmpE )\n",
    "    \n",
    "    rho = ChargeDensity(Bnd,R,Zatom,Uks)\n",
    "    \n",
    "    U = HartreeU(R, rho)\n",
    "    \n",
    "    Vxc = [2*exc.Vx(rs(rh)) + 2*exc.Vc(rs(rh)) for rh in rho]\n",
    "    \n",
    "    Uks = U-2*Zatom + Vxc*R\n",
    "    \n",
    "    print 'Total density has weight=', integrate.simps(rho*(4*pi*R**2), x=R)\n",
    "    \n",
    "    plot(R,U, label='U-hartree')\n",
    "    plot(R,Vxc,label='Vxc')\n",
    "    plot(R, Uks, label='Uks')\n",
    "    legend(loc='best')\n",
    "    grid()\n",
    "    show()\n",
    "    plot(R, rho*(4*pi*R**2))\n",
    "    xlim([0,20])\n",
    "    show()"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "Next we will include charge density mixing, which will improve convergence. We will take a fraction of the new, and a fraction of the old charge density at each iteration.\n"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 54,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Found bound state at E=  -0.999998807 E_exact=  -1.000000000 l=0\n",
      "Found bound state at E=  -0.249999851 E_exact=  -0.250000000 l=0\n",
      "Adding state with l= 0 and E= -0.499999403471  Hartree with Z= 2 with ferm= 1\n",
      "Adding state with l= 0 and E= -0.124999925296  Hartree with Z= 4 with ferm= 1.0\n",
      "Total density has weight= 4.0\n",
      "Found bound state at E= -12.847578370 E_exact=  -1.000000000 l=0\n",
      "Found bound state at E=  -1.592504356 E_exact=  -0.250000000 l=0\n",
      "Adding state with l= 0 and E= -6.42378918503  Hartree with Z= 2 with ferm= 1\n",
      "Adding state with l= 0 and E= -0.796252177996  Hartree with Z= 4 with ferm= 1.0\n",
      "Total density has weight= 4.0\n",
      "Found bound state at E=  -9.809331493 E_exact=  -1.000000000 l=0\n",
      "Found bound state at E=  -0.759401416 E_exact=  -0.250000000 l=0\n",
      "Adding state with l= 0 and E= -4.90466574638  Hartree with Z= 2 with ferm= 1\n",
      "Adding state with l= 0 and E= -0.379700708221  Hartree with Z= 4 with ferm= 1.0\n",
      "Total density has weight= 4.0\n",
      "Found bound state at E=  -6.716105845 E_exact=  -1.000000000 l=0\n",
      "Found bound state at E=  -0.215725475 E_exact=  -0.250000000 l=0\n",
      "Adding state with l= 0 and E= -3.35805292251  Hartree with Z= 2 with ferm= 1\n",
      "Adding state with l= 0 and E= -0.107862737501  Hartree with Z= 4 with ferm= 1.0\n",
      "Total density has weight= 4.0\n",
      "Found bound state at E=  -7.565176024 E_exact=  -1.000000000 l=0\n",
      "Found bound state at E=  -0.393819734 E_exact=  -0.250000000 l=0\n",
      "Adding state with l= 0 and E= -3.78258801221  Hartree with Z= 2 with ferm= 1\n",
      "Adding state with l= 0 and E= -0.196909866827  Hartree with Z= 4 with ferm= 1.0\n",
      "Total density has weight= 4.0\n",
      "Found bound state at E=  -7.907109199 E_exact=  -1.000000000 l=0\n",
      "Found bound state at E=  -0.464424548 E_exact=  -0.250000000 l=0\n",
      "Adding state with l= 0 and E= -3.95355459973  Hartree with Z= 2 with ferm= 1\n",
      "Adding state with l= 0 and E= -0.232212274037  Hartree with Z= 4 with ferm= 1.0\n",
      "Total density has weight= 4.0\n",
      "Found bound state at E=  -7.704561385 E_exact=  -1.000000000 l=0\n",
      "Found bound state at E=  -0.409029832 E_exact=  -0.250000000 l=0\n",
      "Adding state with l= 0 and E= -3.85228069231  Hartree with Z= 2 with ferm= 1\n",
      "Adding state with l= 0 and E= -0.204514915867  Hartree with Z= 4 with ferm= 1.0\n",
      "Total density has weight= 4.0\n",
      "Found bound state at E=  -7.682331761 E_exact=  -1.000000000 l=0\n",
      "Found bound state at E=  -0.403695002 E_exact=  -0.250000000 l=0\n",
      "Adding state with l= 0 and E= -3.84116588064  Hartree with Z= 2 with ferm= 1\n",
      "Adding state with l= 0 and E= -0.201847501159  Hartree with Z= 4 with ferm= 1.0\n",
      "Total density has weight= 4.0\n",
      "Found bound state at E=  -7.718367018 E_exact=  -1.000000000 l=0\n",
      "Found bound state at E=  -0.413194014 E_exact=  -0.250000000 l=0\n",
      "Adding state with l= 0 and E= -3.85918350894  Hartree with Z= 2 with ferm= 1\n",
      "Adding state with l= 0 and E= -0.206597007022  Hartree with Z= 4 with ferm= 1.0\n",
      "Total density has weight= 4.0\n",
      "Found bound state at E=  -7.716041250 E_exact=  -1.000000000 l=0\n",
      "Found bound state at E=  -0.412505071 E_exact=  -0.250000000 l=0\n",
      "Adding state with l= 0 and E= -3.85802062506  Hartree with Z= 2 with ferm= 1\n",
      "Adding state with l= 0 and E= -0.206252535601  Hartree with Z= 4 with ferm= 1.0\n",
      "Total density has weight= 4.0\n",
      "Found bound state at E=  -7.710600928 E_exact=  -1.000000000 l=0\n",
      "Found bound state at E=  -0.411038588 E_exact=  -0.250000000 l=0\n",
      "Adding state with l= 0 and E= -3.85530046412  Hartree with Z= 2 with ferm= 1\n",
      "Adding state with l= 0 and E= -0.2055192941  Hartree with Z= 4 with ferm= 1.0\n",
      "Total density has weight= 4.0\n",
      "Found bound state at E=  -7.711860535 E_exact=  -1.000000000 l=0\n",
      "Found bound state at E=  -0.411383126 E_exact=  -0.250000000 l=0\n",
      "Adding state with l= 0 and E= -3.85593026768  Hartree with Z= 2 with ferm= 1\n",
      "Adding state with l= 0 and E= -0.20569156278  Hartree with Z= 4 with ferm= 1.0\n",
      "Total density has weight= 4.0\n",
      "Found bound state at E=  -7.712535108 E_exact=  -1.000000000 l=0\n",
      "Found bound state at E=  -0.411565239 E_exact=  -0.250000000 l=0\n",
      "Adding state with l= 0 and E= -3.85626755415  Hartree with Z= 2 with ferm= 1\n",
      "Adding state with l= 0 and E= -0.205782619571  Hartree with Z= 4 with ferm= 1.0\n",
      "Total density has weight= 4.0\n",
      "Found bound state at E=  -7.712221919 E_exact=  -1.000000000 l=0\n",
      "Found bound state at E=  -0.411479949 E_exact=  -0.250000000 l=0\n",
      "Adding state with l= 0 and E= -3.8561109595  Hartree with Z= 2 with ferm= 1\n",
      "Adding state with l= 0 and E= -0.205739974323  Hartree with Z= 4 with ferm= 1.0\n",
      "Total density has weight= 4.0\n",
      "Found bound state at E=  -7.712163550 E_exact=  -1.000000000 l=0\n",
      "Found bound state at E=  -0.411464155 E_exact=  -0.250000000 l=0\n",
      "Adding state with l= 0 and E= -3.85608177481  Hartree with Z= 2 with ferm= 1\n",
      "Adding state with l= 0 and E= -0.205732077673  Hartree with Z= 4 with ferm= 1.0\n",
      "Total density has weight= 4.0\n",
      "Found bound state at E=  -7.712223689 E_exact=  -1.000000000 l=0\n",
      "Found bound state at E=  -0.411480517 E_exact=  -0.250000000 l=0\n",
      "Adding state with l= 0 and E= -3.85611184467  Hartree with Z= 2 with ferm= 1\n",
      "Adding state with l= 0 and E= -0.205740258488  Hartree with Z= 4 with ferm= 1.0\n",
      "Total density has weight= 4.0\n",
      "Found bound state at E=  -7.712223394 E_exact=  -1.000000000 l=0\n",
      "Found bound state at E=  -0.411480430 E_exact=  -0.250000000 l=0\n",
      "Adding state with l= 0 and E= -3.85611169684  Hartree with Z= 2 with ferm= 1\n",
      "Adding state with l= 0 and E= -0.205740215146  Hartree with Z= 4 with ferm= 1.0\n",
      "Total density has weight= 4.0\n",
      "Found bound state at E=  -7.712213707 E_exact=  -1.000000000 l=0\n",
      "Found bound state at E=  -0.411477795 E_exact=  -0.250000000 l=0\n",
      "Adding state with l= 0 and E= -3.85610685372  Hartree with Z= 2 with ferm= 1\n",
      "Adding state with l= 0 and E= -0.205738897534  Hartree with Z= 4 with ferm= 1.0\n",
      "Total density has weight= 4.0\n",
      "Found bound state at E=  -7.712215324 E_exact=  -1.000000000 l=0\n",
      "Found bound state at E=  -0.411478235 E_exact=  -0.250000000 l=0\n",
      "Adding state with l= 0 and E= -3.85610766187  Hartree with Z= 2 with ferm= 1\n",
      "Adding state with l= 0 and E= -0.20573911762  Hartree with Z= 4 with ferm= 1.0\n",
      "Total density has weight= 4.0\n",
      "Found bound state at E=  -7.712216630 E_exact=  -1.000000000 l=0\n",
      "Found bound state at E=  -0.411478591 E_exact=  -0.250000000 l=0\n",
      "Adding state with l= 0 and E= -3.85610831498  Hartree with Z= 2 with ferm= 1\n",
      "Adding state with l= 0 and E= -0.205739295317  Hartree with Z= 4 with ferm= 1.0\n",
      "Total density has weight= 4.0\n",
      "Found bound state at E=  -7.712216157 E_exact=  -1.000000000 l=0\n",
      "Found bound state at E=  -0.411478462 E_exact=  -0.250000000 l=0\n",
      "Adding state with l= 0 and E= -3.85610807842  Hartree with Z= 2 with ferm= 1\n",
      "Adding state with l= 0 and E= -0.205739230934  Hartree with Z= 4 with ferm= 1.0\n",
      "Total density has weight= 4.0\n",
      "Found bound state at E=  -7.712216022 E_exact=  -1.000000000 l=0\n",
      "Found bound state at E=  -0.411478425 E_exact=  -0.250000000 l=0\n",
      "Adding state with l= 0 and E= -3.856108011  Hartree with Z= 2 with ferm= 1\n",
      "Adding state with l= 0 and E= -0.205739212588  Hartree with Z= 4 with ferm= 1.0\n",
      "Total density has weight= 4.0\n",
      "Found bound state at E=  -7.712216120 E_exact=  -1.000000000 l=0\n",
      "Found bound state at E=  -0.411478452 E_exact=  -0.250000000 l=0\n",
      "Adding state with l= 0 and E= -3.85610806021  Hartree with Z= 2 with ferm= 1\n",
      "Adding state with l= 0 and E= -0.205739225981  Hartree with Z= 4 with ferm= 1.0\n",
      "Total density has weight= 4.0\n",
      "Found bound state at E=  -7.712216126 E_exact=  -1.000000000 l=0\n",
      "Found bound state at E=  -0.411478454 E_exact=  -0.250000000 l=0\n",
      "Adding state with l= 0 and E= -3.85610806315  Hartree with Z= 2 with ferm= 1\n",
      "Adding state with l= 0 and E= -0.205739226775  Hartree with Z= 4 with ferm= 1.0\n",
      "Total density has weight= 4.0\n",
      "Found bound state at E=  -7.712216109 E_exact=  -1.000000000 l=0\n",
      "Found bound state at E=  -0.411478449 E_exact=  -0.250000000 l=0\n",
      "Adding state with l= 0 and E= -3.85610805471  Hartree with Z= 2 with ferm= 1\n",
      "Adding state with l= 0 and E= -0.205739224482  Hartree with Z= 4 with ferm= 1.0\n",
      "Total density has weight= 4.0\n",
      "Found bound state at E=  -7.712216111 E_exact=  -1.000000000 l=0\n",
      "Found bound state at E=  -0.411478449 E_exact=  -0.250000000 l=0\n",
      "Adding state with l= 0 and E= -3.85610805559  Hartree with Z= 2 with ferm= 1\n",
      "Adding state with l= 0 and E= -0.205739224718  Hartree with Z= 4 with ferm= 1.0\n",
      "Total density has weight= 4.0\n",
      "Found bound state at E=  -7.712216114 E_exact=  -1.000000000 l=0\n",
      "Found bound state at E=  -0.411478450 E_exact=  -0.250000000 l=0\n",
      "Adding state with l= 0 and E= -3.85610805681  Hartree with Z= 2 with ferm= 1\n",
      "Adding state with l= 0 and E= -0.205739225051  Hartree with Z= 4 with ferm= 1.0\n",
      "Total density has weight= 4.0\n",
      "Found bound state at E=  -7.712216113 E_exact=  -1.000000000 l=0\n",
      "Found bound state at E=  -0.411478450 E_exact=  -0.250000000 l=0\n",
      "Adding state with l= 0 and E= -3.85610805647  Hartree with Z= 2 with ferm= 1\n",
      "Adding state with l= 0 and E= -0.205739224957  Hartree with Z= 4 with ferm= 1.0\n",
      "Total density has weight= 4.0\n",
      "Found bound state at E=  -7.712216113 E_exact=  -1.000000000 l=0\n",
      "Found bound state at E=  -0.411478450 E_exact=  -0.250000000 l=0\n",
      "Adding state with l= 0 and E= -3.85610805633  Hartree with Z= 2 with ferm= 1\n",
      "Adding state with l= 0 and E= -0.20573922492  Hartree with Z= 4 with ferm= 1.0\n",
      "Total density has weight= 4.0\n",
      "Found bound state at E=  -7.712216113 E_exact=  -1.000000000 l=0\n",
      "Found bound state at E=  -0.411478450 E_exact=  -0.250000000 l=0\n",
      "Adding state with l= 0 and E= -3.8561080564  Hartree with Z= 2 with ferm= 1\n",
      "Adding state with l= 0 and E= -0.205739224937  Hartree with Z= 4 with ferm= 1.0\n",
      "Total density has weight= 4.0\n"
     ]
    },
    {
     "data": {
      "image/png": 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g8b621WEFERGRYLg+56AlYIGN+1tRIwfuLF68zz5NfKDM3VPm7inz2OWsOTDG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\n/vjf/4a//Q2WL4ehQ727Ica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B4HpgIZAC9KrNto0Ld0CrVl6DIL5LT08PuoSEo8zdU+bu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\ngg==\n",
      "text/plain": [
       "<matplotlib.figure.Figure at 0x113f393d0>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "data": {
      "image/png": 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rDHvvDR/4QH6iQpJUDIaEEh15JIwfn/9qr6f/+i84+GBYujQ/1njllfkxzUay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\n2ZOk/DQAAAAASUVORK5CYII=\n",
      "text/plain": [
       "<matplotlib.figure.Figure at 0x1140a4c90>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "R = linspace(1e-8,50,2**12+1) # so that we can use Romberg method\n",
    "\n",
    "nmax = 2\n",
    "Zatom = 4\n",
    "mixr = 0.5\n",
    "\n",
    "E0=-1.2*Zatom**2\n",
    "Eshift=0.5 # sometimes energies can be positive!!!                                                                                                                        \n",
    "Esearch = -logspace(-4,log10(-E0+Eshift),200)[::-1] + Eshift\n",
    "\n",
    "exc = ExchangeCorrelation()\n",
    "Uks = -2.*ones( len(R) )     # First iteration like hydrogen atom\n",
    "\n",
    "for itt in range(30):\n",
    "    Bnd=[]\n",
    "    for l in range(nmax-1):\n",
    "        Bnd += FindBoundStates(R,l,nmax-l,Esearch,Uks)\n",
    "    Bnd.sort( cmpE )\n",
    "    \n",
    "    rho_new = ChargeDensity(Bnd,R,Zatom,Uks)\n",
    "    \n",
    "    if itt>0:\n",
    "        rho = rho_new*mixr + (1-mixr)*rho_old\n",
    "    else:\n",
    "        rho = rho_new\n",
    "    rho_old = copy(rho_new)\n",
    "    \n",
    "    U = HartreeU(R, rho)\n",
    "    \n",
    "    Vxc = [2*exc.Vx(rs(rh)) + 2*exc.Vc(rs(rh)) for rh in rho]\n",
    "    \n",
    "    Uks = U-2*Zatom + Vxc*R\n",
    "    \n",
    "    print 'Total density has weight=', integrate.simps(rho*(4*pi*R**2), x=R)\n",
    "  \n",
    "\n",
    "plot(R,U, label='U-hartree')\n",
    "plot(R,Vxc,label='Vxc')\n",
    "plot(R, Uks, label='Uks')\n",
    "legend(loc='best')\n",
    "grid()\n",
    "show()\n",
    "plot(R, rho*(4*pi*R**2))\n",
    "xlim([0,10])\n",
    "show()"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "Finally we add the total energy. At each iteration, we will evaluate \n",
    "\n",
    "\\begin{eqnarray}\n",
    "E^{LDA}_{total} &=& \\sum_{i\\in occupied}\\int d\\vec{r}\n",
    "\\psi_i^*(\\vec{r})[-\\nabla^2]\\psi_i(\\vec{r}) +\\nonumber\\\\\n",
    " &+& \\int d\\vec{r} \\rho(\\vec{r}) [V_{nucleous}(\\vec{r})+\\epsilon_H(\\vec{r}) +\n",
    "   \\epsilon_{XC}(\\vec{r})]\\nonumber\\\\\n",
    " &=& \\sum_{i\\in occupied}\\int d\\vec{r}\n",
    "\\psi_i^*(\\vec{r})[-\\nabla^2+V_{nucleous}+V_H+V_{XC}]\\psi_i(\\vec{r})\n",
    " \\nonumber\\\\\n",
    " &+& \\int d\\vec{r} \\rho(\\vec{r}) [\\epsilon_H(\\vec{r})-V_H(\\vec{r}) +\n",
    "   \\epsilon_{XC}(\\vec{r})-V_{XC}(\\vec{r})]\\nonumber\\\\\n",
    " &=& \\sum_{i\\in occupied}\\epsilon_i + \\int d\\vec{r} \\rho(\\vec{r}) [\\epsilon_H(\\vec{r})-V_H(\\vec{r}) +\n",
    "   \\epsilon_{XC}(\\vec{r})-V_{XC}(\\vec{r})]\\nonumber\\\\\n",
    " &=& \\sum_{i\\in occupied}\\epsilon_i + \\int d\\vec{r} \\rho(\\vec{r}) [-\\epsilon_H(\\vec{r}) + \\epsilon_{XC}(\\vec{r})-V_{XC}(\\vec{r})]\\\\\n",
    "  &=& \\sum_{i\\in occupied}\\epsilon_i + \\int d\\vec{r} \\rho(\\vec{r})[\n",
    "  -\\frac{1}{2} V_H(\\vec{r}) + \\epsilon_{XC}(\\vec{r})-V_{XC}(\\vec{r})]\n",
    "\\end{eqnarray}\n",
    "\n",
    "Here we used\n",
    "\n",
    "\\begin{eqnarray}\n",
    "&& E_y[\\rho] \\equiv \\int d\\vec{r}\\; \\rho(\\vec{r})\\; \\epsilon_y[\\rho(\\vec{r})]\\\\\n",
    "&& V_y[\\rho]\\equiv \\frac{\\delta E_y[\\rho]}{\\delta \\rho(\\vec{r})}\n",
    "\\end{eqnarray}\n",
    "where $y$ is one of $H$, $x$ or $c$. \n"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 14,
   "metadata": {
    "collapsed": false
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Found bound state at E=  -0.999999849 E_exact=  -1.000000000 l=0\n",
      "Found bound state at E=  -0.249999981 E_exact=  -0.250000000 l=0\n",
      "Adding state with l= 0 and E= -0.499999924717  Hartree with Z= 2 with ferm= 1\n",
      "Adding state with l= 0 and E= -0.124999990581  Hartree with Z= 4 with ferm= 1.0\n",
      "Itteration 0 Etot[Ry]= -6.75545868729 Etot[Hartre]= -3.37772934365 Diff= 6.75545868729\n",
      "Total density has weight= 4.0\n",
      "Found bound state at E= -12.848578363 E_exact=  -1.000000000 l=0\n",
      "Found bound state at E=  -1.592599732 E_exact=  -0.250000000 l=0\n",
      "Adding state with l= 0 and E= -6.42428918151  Hartree with Z= 2 with ferm= 1\n",
      "Adding state with l= 0 and E= -0.796299866236  Hartree with Z= 4 with ferm= 1.0\n",
      "Itteration 1 Etot[Ry]= -37.3774530953 Etot[Hartre]= -18.6887265477 Diff= 30.6219944081\n",
      "Total density has weight= 4.0\n",
      "Found bound state at E=  -9.810074652 E_exact=  -1.000000000 l=0\n",
      "Found bound state at E=  -0.759434866 E_exact=  -0.250000000 l=0\n",
      "Adding state with l= 0 and E= -4.90503732579  Hartree with Z= 2 with ferm= 1\n",
      "Adding state with l= 0 and E= -0.379717432886  Hartree with Z= 4 with ferm= 1.0\n",
      "Itteration 2 Etot[Ry]= -36.3284654406 Etot[Hartre]= -18.1642327203 Diff= 1.0489876547\n",
      "Total density has weight= 4.0\n",
      "Found bound state at E=  -6.716545642 E_exact=  -1.000000000 l=0\n",
      "Found bound state at E=  -0.215722081 E_exact=  -0.250000000 l=0\n",
      "Adding state with l= 0 and E= -3.35827282096  Hartree with Z= 2 with ferm= 1\n",
      "Adding state with l= 0 and E= -0.10786104061  Hartree with Z= 4 with ferm= 1.0\n",
      "Itteration 3 Etot[Ry]= -26.8429411209 Etot[Hartre]= -13.4214705605 Diff= 9.48552431971\n",
      "Total density has weight= 4.0\n",
      "Found bound state at E=  -7.565688131 E_exact=  -1.000000000 l=0\n",
      "Found bound state at E=  -0.393827053 E_exact=  -0.250000000 l=0\n",
      "Adding state with l= 0 and E= -3.78284406531  Hartree with Z= 2 with ferm= 1\n",
      "Adding state with l= 0 and E= -0.196913526648  Hartree with Z= 4 with ferm= 1.0\n",
      "Itteration 4 Etot[Ry]= -28.0752464676 Etot[Hartre]= -14.0376232338 Diff= 1.23230534668\n",
      "Total density has weight= 4.0\n",
      "Found bound state at E=  -7.907654027 E_exact=  -1.000000000 l=0\n",
      "Found bound state at E=  -0.464436766 E_exact=  -0.250000000 l=0\n",
      "Adding state with l= 0 and E= -3.95382701368  Hartree with Z= 2 with ferm= 1\n",
      "Adding state with l= 0 and E= -0.232218383119  Hartree with Z= 4 with ferm= 1.0\n",
      "Itteration 5 Etot[Ry]= -29.4101089733 Etot[Hartre]= -14.7050544866 Diff= 1.33486250566\n",
      "Total density has weight= 4.0\n",
      "Found bound state at E=  -7.705086506 E_exact=  -1.000000000 l=0\n",
      "Found bound state at E=  -0.409037292 E_exact=  -0.250000000 l=0\n",
      "Adding state with l= 0 and E= -3.85254325296  Hartree with Z= 2 with ferm= 1\n",
      "Adding state with l= 0 and E= -0.204518646216  Hartree with Z= 4 with ferm= 1.0\n",
      "Itteration 6 Etot[Ry]= -28.9494429519 Etot[Hartre]= -14.4747214759 Diff= 0.460666021414\n",
      "Total density has weight= 4.0\n",
      "Found bound state at E=  -7.682854799 E_exact=  -1.000000000 l=0\n",
      "Found bound state at E=  -0.403702113 E_exact=  -0.250000000 l=0\n",
      "Adding state with l= 0 and E= -3.84142739972  Hartree with Z= 2 with ferm= 1\n",
      "Adding state with l= 0 and E= -0.201851056714  Hartree with Z= 4 with ferm= 1.0\n",
      "Itteration 7 Etot[Ry]= -28.8030908126 Etot[Hartre]= -14.4015454063 Diff= 0.146352139276\n",
      "Total density has weight= 4.0\n",
      "Found bound state at E=  -7.718893859 E_exact=  -1.000000000 l=0\n",
      "Found bound state at E=  -0.413202003 E_exact=  -0.250000000 l=0\n",
      "Adding state with l= 0 and E= -3.85944692959  Hartree with Z= 2 with ferm= 1\n",
      "Adding state with l= 0 and E= -0.206601001347  Hartree with Z= 4 with ferm= 1.0\n",
      "Itteration 8 Etot[Ry]= -28.9001949849 Etot[Hartre]= -14.4500974925 Diff= 0.0971041723328\n",
      "Total density has weight= 4.0\n",
      "Found bound state at E=  -7.716567773 E_exact=  -1.000000000 l=0\n",
      "Found bound state at E=  -0.412512969 E_exact=  -0.250000000 l=0\n",
      "Adding state with l= 0 and E= -3.85828388659  Hartree with Z= 2 with ferm= 1\n",
      "Adding state with l= 0 and E= -0.206256484314  Hartree with Z= 4 with ferm= 1.0\n",
      "Itteration 9 Etot[Ry]= -28.9079778931 Etot[Hartre]= -14.4539889466 Diff= 0.00778290820539\n",
      "Total density has weight= 4.0\n",
      "Found bound state at E=  -7.711126838 E_exact=  -1.000000000 l=0\n",
      "Found bound state at E=  -0.411046337 E_exact=  -0.250000000 l=0\n",
      "Adding state with l= 0 and E= -3.85556341901  Hartree with Z= 2 with ferm= 1\n",
      "Adding state with l= 0 and E= -0.205523168627  Hartree with Z= 4 with ferm= 1.0\n",
      "Itteration 10 Etot[Ry]= -28.8909536434 Etot[Hartre]= -14.4454768217 Diff= 0.0170242496947\n",
      "Total density has weight= 4.0\n",
      "Found bound state at E=  -7.712386609 E_exact=  -1.000000000 l=0\n",
      "Found bound state at E=  -0.411390916 E_exact=  -0.250000000 l=0\n",
      "Adding state with l= 0 and E= -3.85619330474  Hartree with Z= 2 with ferm= 1\n",
      "Adding state with l= 0 and E= -0.205695458245  Hartree with Z= 4 with ferm= 1.0\n",
      "Itteration 11 Etot[Ry]= -28.8924487715 Etot[Hartre]= -14.4462243857 Diff= 0.00149512806576\n",
      "Total density has weight= 4.0\n",
      "Found bound state at E=  -7.713061261 E_exact=  -1.000000000 l=0\n",
      "Found bound state at E=  -0.411573049 E_exact=  -0.250000000 l=0\n",
      "Adding state with l= 0 and E= -3.85653063066  Hartree with Z= 2 with ferm= 1\n",
      "Adding state with l= 0 and E= -0.205786524678  Hartree with Z= 4 with ferm= 1.0\n",
      "Itteration 12 Etot[Ry]= -28.8949593901 Etot[Hartre]= -14.4474796951 Diff= 0.00251061862082\n",
      "Total density has weight= 4.0\n",
      "Found bound state at E=  -7.712748029 E_exact=  -1.000000000 l=0\n",
      "Found bound state at E=  -0.411487748 E_exact=  -0.250000000 l=0\n",
      "Adding state with l= 0 and E= -3.85637401474  Hartree with Z= 2 with ferm= 1\n",
      "Adding state with l= 0 and E= -0.205743874051  Hartree with Z= 4 with ferm= 1.0\n",
      "Itteration 13 Etot[Ry]= -28.8943106657 Etot[Hartre]= -14.4471553328 Diff= 0.00064872442514\n",
      "Total density has weight= 4.0\n",
      "Found bound state at E=  -7.712689654 E_exact=  -1.000000000 l=0\n",
      "Found bound state at E=  -0.411471953 E_exact=  -0.250000000 l=0\n",
      "Adding state with l= 0 and E= -3.85634482684  Hartree with Z= 2 with ferm= 1\n",
      "Adding state with l= 0 and E= -0.205735976629  Hartree with Z= 4 with ferm= 1.0\n",
      "Itteration 14 Etot[Ry]= -28.8940092999 Etot[Hartre]= -14.4470046499 Diff= 0.000301365828761\n",
      "Total density has weight= 4.0\n",
      "Found bound state at E=  -7.712749802 E_exact=  -1.000000000 l=0\n",
      "Found bound state at E=  -0.411488317 E_exact=  -0.250000000 l=0\n",
      "Adding state with l= 0 and E= -3.85637490096  Hartree with Z= 2 with ferm= 1\n",
      "Adding state with l= 0 and E= -0.205744158516  Hartree with Z= 4 with ferm= 1.0\n",
      "Itteration 15 Etot[Ry]= -28.8941630896 Etot[Hartre]= -14.4470815448 Diff= 0.000153789705287\n",
      "Total density has weight= 4.0\n",
      "Found bound state at E=  -7.712749506 E_exact=  -1.000000000 l=0\n",
      "Found bound state at E=  -0.411488230 E_exact=  -0.250000000 l=0\n",
      "Adding state with l= 0 and E= -3.85637475294  Hartree with Z= 2 with ferm= 1\n",
      "Adding state with l= 0 and E= -0.205744115107  Hartree with Z= 4 with ferm= 1.0\n",
      "Itteration 16 Etot[Ry]= -28.8941869702 Etot[Hartre]= -14.4470934851 Diff= 2.38806530817e-05\n",
      "Total density has weight= 4.0\n",
      "Found bound state at E=  -7.712739818 E_exact=  -1.000000000 l=0\n",
      "Found bound state at E=  -0.411485595 E_exact=  -0.250000000 l=0\n",
      "Adding state with l= 0 and E= -3.85636990913  Hartree with Z= 2 with ferm= 1\n",
      "Adding state with l= 0 and E= -0.20574279734  Hartree with Z= 4 with ferm= 1.0\n",
      "Itteration 17 Etot[Ry]= -28.89415821 Etot[Hartre]= -14.447079105 Diff= 2.87602274369e-05\n",
      "Total density has weight= 4.0\n",
      "Found bound state at E=  -7.712741435 E_exact=  -1.000000000 l=0\n",
      "Found bound state at E=  -0.411486035 E_exact=  -0.250000000 l=0\n",
      "Adding state with l= 0 and E= -3.85637071748  Hartree with Z= 2 with ferm= 1\n",
      "Adding state with l= 0 and E= -0.20574301751  Hartree with Z= 4 with ferm= 1.0\n",
      "Itteration 18 Etot[Ry]= -28.8941590005 Etot[Hartre]= -14.4470795003 Diff= 7.90549265162e-07\n",
      "Total density has weight= 4.0\n",
      "Found bound state at E=  -7.712742741 E_exact=  -1.000000000 l=0\n",
      "Found bound state at E=  -0.411486390 E_exact=  -0.250000000 l=0\n",
      "Adding state with l= 0 and E= -3.85637137064  Hartree with Z= 2 with ferm= 1\n",
      "Adding state with l= 0 and E= -0.205743195194  Hartree with Z= 4 with ferm= 1.0\n",
      "Itteration 19 Etot[Ry]= -28.8941635278 Etot[Hartre]= -14.4470817639 Diff= 4.52727316969e-06\n",
      "Total density has weight= 4.0\n",
      "Found bound state at E=  -7.712742268 E_exact=  -1.000000000 l=0\n",
      "Found bound state at E=  -0.411486262 E_exact=  -0.250000000 l=0\n",
      "Adding state with l= 0 and E= -3.85637113406  Hartree with Z= 2 with ferm= 1\n",
      "Adding state with l= 0 and E= -0.205743130819  Hartree with Z= 4 with ferm= 1.0\n",
      "Itteration 20 Etot[Ry]= -28.894162667 Etot[Hartre]= -14.4470813335 Diff= 8.60819532988e-07\n",
      "Total density has weight= 4.0\n",
      "Found bound state at E=  -7.712742133 E_exact=  -1.000000000 l=0\n",
      "Found bound state at E=  -0.411486225 E_exact=  -0.250000000 l=0\n",
      "Adding state with l= 0 and E= -3.85637106666  Hartree with Z= 2 with ferm= 1\n",
      "Adding state with l= 0 and E= -0.205743112502  Hartree with Z= 4 with ferm= 1.0\n",
      "Itteration 21 Etot[Ry]= -28.8941620738 Etot[Hartre]= -14.4470810369 Diff= 5.93194165788e-07\n",
      "Total density has weight= 4.0\n",
      "Found bound state at E=  -7.712742232 E_exact=  -1.000000000 l=0\n",
      "Found bound state at E=  -0.411486252 E_exact=  -0.250000000 l=0\n",
      "Adding state with l= 0 and E= -3.85637111585  Hartree with Z= 2 with ferm= 1\n",
      "Adding state with l= 0 and E= -0.20574312587  Hartree with Z= 4 with ferm= 1.0\n",
      "Itteration 22 Etot[Ry]= -28.894162309 Etot[Hartre]= -14.4470811545 Diff= 2.3523692505e-07\n",
      "Total density has weight= 4.0\n",
      "Found bound state at E=  -7.712742238 E_exact=  -1.000000000 l=0\n",
      "Found bound state at E=  -0.411486253 E_exact=  -0.250000000 l=0\n",
      "Adding state with l= 0 and E= -3.8563711188  Hartree with Z= 2 with ferm= 1\n",
      "Adding state with l= 0 and E= -0.205743126668  Hartree with Z= 4 with ferm= 1.0\n",
      "Itteration 23 Etot[Ry]= -28.894162367 Etot[Hartre]= -14.4470811835 Diff= 5.79269894274e-08\n"
     ]
    },
    {
     "data": {
      "image/png": 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SpMGjpq5JkCRJlWNIkCRJBRkSJElSQYYESZJUkCFBkiQVZEiQJEkFDZqQsG4djB8PP/xh\n3pVIklQbaiokvP/9cM01pe27ySbZsM6LF5e3JkmSBqqaCgn33Qcvvlj6/k7yJElS79VUSOjL3A2Q\nhQSni5YkqXdqKiT0ZRZIyGaCNCRIktQ7NRMSUipPT4KnGyRJ6p2aCQnr1mVBwZ4ESZIqo2ZCwqpV\n2WNfQoI9CZIk9V7NTBW9enX22JfTDcceCzvsUJ56JEka6GomJAwbBmeeCTvtVPox/uVfskWSJPWs\nqNMNEXFuRDwQEcsjYlFE/CIidu5hn5kRsaHTsj4iti6m7S23hMsug912K2YvSZJUqmKvSTgA+Daw\nN3AosClwR0SM6GG/BOwETGhbJqaUHPtQkqQqVtTphpTSUR2fR8SJwGKgAfhjD7svSSktL6o6SZKU\nm77e3TCarJfglR62C2BuRCyMiDsiYr8+titJkvpZySEhIgK4DPhjSunv3Wz6InAq8AHg/cBzwD0R\nsUepbUuSpP7Xl7sbrgR2BfbvbqOU0uPA4x1W/SUidgSagNl9aF+SJPWjkkJCRFwBHAUckFIqZV7G\nB+ghXAA0NTVRV1e30brGxkYaGxtLaDJz330wZAjsvXfJh5AkqSo0NzfT3Ny80bply5aV7fiRUipu\nhywgHAfMTCk9XVKjEXcAy1NKs7p4vR5oaWlpob6+HoAVK+C112DSJIgopdXMe98Lo0bBz39e+jEk\nSapWra2tNDQ0ADSklFr7cqxix0m4EvgI8GFgRURs07YM77DN+RFxXYfnZ0bEsRGxY0TsFhGXAQcD\nVxTT9k03wbbbwvr1xez1Vg7NLElS7xR7uuHTZHcz3NNp/SeA69t+nghM7vDaMOASYBKwEngEOCSl\ndG8xDa9alZ0m2KSPY0SOHQtz5/btGJIkDQbFjpPQY89DSukTnZ5fDFxcZF1v0ddpotvZkyBJUu/U\nzCyQq1f3bQbIduPGZdNFF3kphiRJg07NhIRy9SSMHQvr1sFyx36UJKlbNRMSytmTAJ5ykCSpJzUT\nEsp5TUIEvNLTQNKSJA1yfbxXoHLK1ZOw++6wdi0MHdr3Y0mSNJDVTE/CWWfBtdf2/ThDhhgQJEnq\njZrpSZg6Ne8KJEkaXGqmJ0GSJFWWIUGSJBVkSJAkSQUZEiRJUkGGBEmSVNCgDAm/+AU0NuZdhSRJ\n1a1mQsL118M995TnWC++CD//uZM8SZLUnZoJCRddBDffXJ5jjR2bjbr4+uvlOZ4kSQNRzYSENWtg\n2LDyHMtJniRJ6lnNhITVq8szwRNkPQkAS5eW53iSJA1ENRMS+qMnwZAgSVLXDAmSJKmgmgkJq1eX\nLyQMHw5bbAFLlpTneJIkDUQ1ExLWrCnfNQkAJ50EO+1UvuNJkjTQ1MRU0SnBxIlQV1e+Y152WfmO\nJUnSQFQTISECFizIuwpJkgaXmjndIEmSKsuQIEmSCjIkSJKkggwJkiSpIEOCJEkqqKiQEBHnRsQD\nEbE8IhZFxC8iYude7HdQRLRExKqIeDwiZpdecnls2JANpvTGG3lXIklSdSq2J+EA4NvA3sChwKbA\nHRExoqsdImJ74JfA3cAM4HLgmog4rIR6y2bRIth6a7jrrjyrkCSpehUVElJKR6WUfphSmpdS+itw\nIjAFaOhmt9OAp1NK56SU/pFS+g5wE9DU23Yffhj23hvmzy+m2u61z9/g0MySJBXW12sSRgMJeKWb\nbfYBOn9fvx3Yt7eNvPoqPPAArFtXfIFd2XRTGDMGFi8u3zElSRpISg4JERHAZcAfU0p/72bTCcCi\nTusWAVtGRK9mY1izJnss59wNkJ1uMCRIklRYX4ZlvhLYFdi/TLW8RVNTE3V1dSxqixif+hSceGIj\njY2NZTn+1lt7ukGSVLuam5tpbm7eaN2yZcvKdvxIKRW/U8QVwDHAASmlbmdViIjfAy0ppX/tsO5E\nYE5KaUwX+9QDLS0tLdTX1/Pzn8OsWfDKK9kpgnKZNQtefx1uv718x5QkKU+tra00NDQANKSUWvty\nrKJPN7QFhOOAg3sKCG3uAw7ptO7wtvW90n66Ydiw3u7RO55ukCSpa8WOk3Al8BHgw8CKiNimbRne\nYZvzI+K6DrtdBewQERdFxC4RcTowC7i0t+2uXp09ljskjB/v6QZJkrpSbE/Cp4EtgXuAhR2W4zts\nMxGY3P4kpTQfOJpsXIW5ZLc+fjKl1OsRCtasyaaL3qTME1ufdBLcckt5jylJ0kBR1MduSqnHUJFS\n+kSBdffS/VgK3XrHO+Df/i0LCuW03XbZIkmS3qrM3837x777ZoskSaocJ3iSJEkFGRIkSVJBhgRJ\nklSQIUGSJBVkSJAkSQUN+pDwi1/Aj36UdxWSJFWfmggJixfz5iRP5fbf/w3f/W7/HFuSpFpWEyGh\nqQlOOKF/jj1hArz4Yv8cW5KkWlYTIWHNmvLP29Bu4kRDgiRJhdRMSNhss/459oQJsGIF/O//9s/x\nJUmqVTURElav7t+eBLA3QZKkzmoiJPT36QaAl17qn+NLklSraiIk9GdPwoQJ2aM9CZIkbawmQkJ/\nXpNQV5dNRT2kJt4JSZIqpyamiu7P0w0R8Mgj/XNsSZJqWU2EhBtvhFGj8q5CkqTBpSZCwm675V2B\nJEmDj2fiJUlSQYYESZJUkCFBkiQVZEiQJEkFGRIkSVJBhgTg5ZdhyhT49a/zrkSSpOpR9SFhzRq4\n6CJ47LH+a2P0aHjhhWyRJEmZqg8JK1fCF74Af/tb/7UxdCiMH+/8DZIkdVT1IWHNmuyxv+ZuaDdx\noiFBkqSOqj4krF6dPfbX3A3t3vY2TzdIktRR0SEhIg6IiFsi4oWI2BARx/aw/cy27Tou6yNi6960\n196T0N8hYdtt4fnn+7cNSZJqSSk9CaOAucDpQOrlPgnYCZjQtkxMKS3uzY6VOt1gSJAkaWNFT/CU\nUvoN8BuAiIgidl2SUlpebHuVOt2w7bawZEnWXn8HEkmSakGlrkkIYG5ELIyIOyJiv97uWKnTDQcc\nAFdfDRs29G87kiTVikpMFf0icCrwILAZcDJwT0S8K6U0t6edhwyB7beHUaP6t8gdd8wWSZKUiZR6\ne1lBgZ0jNgDvSyndUuR+9wDPppRmd/F6PdBy4IEHUldXt9FrjY2NNDY2llixJEkDR3NzM83NzRut\nW7ZsGffeey9AQ0qptS/HzyskfBPYP6W0fxev1wMtLS0t1NfXl1yfJEmDTWtrKw0NDVCGkJDXOAl7\nkJ2GkCRJVaroaxIiYhTwdrKLEQF2iIgZwCsppeci4gJgUvuphIg4E3gGeBQYTnZNwsHAYWWoX5Ik\n9ZNSLlzcC/gd2dgHCbikbf11wElk4yBM7rD9sLZtJgErgUeAQ1JK95ZYsyRJqoBSxkn4Pd2cpkgp\nfaLT84uBi4svTZIk5anq526opJdegp/9DNaty7sSSZLyZ0joYO5cOP54Z4OUJAlqICRcey285z2V\naWvbbbNH53CQJKkGQsLzz8Ojj1amrfaQsGBBZdqTJKmaVX1IWLOmchMujR4NdXXw7LOVaU+SpGpW\n9SFh9er+n9ypo+23h/nzK9eeJEnVqupDwpo1hgRJkvJQEyGhUqcbAKZONSRIkgQ1EhI23bRy7W2/\nPbz6KvRh3itJkgaEmggJlexJOOOMbJyEiJ63lSRpICtl7oaKOuooeO21yrU3dGjl2pIkqZpVfUj4\n0IfyrkCSpMGp6k83SJKkfBgSJElSQYYESZJUkCFBkiQVZEiQJEkFGRIKeOgheOc74YUX8q5EkqT8\nVH1ImD8fXnmlsm2OHAkPPgiPP17ZdiVJqiZVHxJmzoRLL61sm1OnwpAh8MQTlW1XkqRqUvUhodLD\nMkM26+TUqfYkSJIGt5oICZWcKrrdTjvZkyBJGtwMCV0wJEiSBruqDwmrV1f+dAPAzjvDU0/B+vWV\nb1uSpGpQ1SEhJVi7Nr+ehDVrYMGCyrctSVI1qOqQsG5d9phHSJgxA/7jP2DEiMq3LUlSNajqqaLX\nrs0e8zjdMGECfPnLlW9XkqRqUdUhYbPNstEPp0zJuxJJkgafok83RMQBEXFLRLwQERsi4the7HNQ\nRLRExKqIeDwiZvemraFDYY89YKutiq1SkiT1VSnXJIwC5gKnA6mnjSNie+CXwN3ADOBy4JqIOKyE\ntiVJUoUUfbohpfQb4DcAERG92OU04OmU0jltz/8REe8GmoA7i21fkiRVRiXubtgHuKvTutuBfSvQ\ntiRJKlElQsIEYFGndYuALSMih/sWJElSb1T13Q1NTU3U1dVttK6xsZHGxsaK1dDaCqtWwX77VaxJ\nSZJ6pbm5mebm5o3WLVu2rGzHj5R6vPaw650jNgDvSynd0s02vwdaUkr/2mHdicCclNKYLvapB1pa\nWlqor68vub5yeP/7YflyuKvzCRNJkqpQa2srDQ0NAA0ppda+HKsSpxvuAw7ptO7wtvXdeu45OP/8\n7EM6L7vvDo8+ml/7kiTlpZRxEkZFxIyI2KNt1Q5tzye3vX5BRFzXYZer2ra5KCJ2iYjTgVnApT21\n9cwz8KUvwYoVxVZZPrvtBi+9BEuX5leDJEl5KKUnYS/gIaCFbJyES4BW4Gttr08AJrdvnFKaDxwN\nHEo2vkIT8MmUUo8d+O1zN+QxLHO7GTOyx4cfzq8GSZLyUMo4Cb+nm3CRUvpEgXX3Ag3FttU+d0Me\nEzy123ln2HxzaGmBQzqfNJEkaQCr6lkg16zJHvMMCUOGZENDt/bp0g9JkmpPVYeE9p6ETTfNt46G\nhqwnQZKkwaSqQ8K6dVkvQq8Gf+5H9fVZLatW5VuHJEmVVNUhYe3afC9abPexj2V3WgwfnnclkiRV\nTlWHhBEjYKed8q4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      "text/plain": [
       "<matplotlib.figure.Figure at 0x113e61cd0>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "def ChargeDensity(bst,R,Zatom,Uks):\n",
    "    rho = zeros( len(R) )\n",
    "    N=0\n",
    "    Ebs=0.\n",
    "    for i,(l,Ei) in enumerate(bst):\n",
    "        dN = 2*(2*l+1)\n",
    "        if N+dN<Zatom:\n",
    "            ferm=1\n",
    "        else:\n",
    "            ferm = (Zatom-N)/float(dN)\n",
    "        u = ComputeSchrod(Ei,R,l,Uks)\n",
    "        drho = u**2 / (4*pi*R**2) * dN * ferm\n",
    "        rho += drho\n",
    "        N += dN\n",
    "        Ebs += Ei*dN*ferm\n",
    "        print 'Adding state with l=', l, 'and E=', Ei/2, ' Hartree with Z=', N, 'with ferm=', ferm\n",
    "        if N>=Zatom: break\n",
    "    return (rho,Ebs)\n",
    "\n",
    "\n",
    "\n",
    "\n",
    "\n",
    "R = linspace(1e-8,50,2**13+1) # so that we can use Romberg method\n",
    "Etol=1e-7\n",
    "nmax = 2\n",
    "Zatom = 4\n",
    "mixr = 0.5\n",
    "\n",
    "E0=-1.2*Zatom**2\n",
    "Eshift=0.5 # sometimes energies can be positive!!!                                                                                                                        \n",
    "Esearch = -logspace(-4,log10(-E0+Eshift),200)[::-1] + Eshift\n",
    "\n",
    "exc = ExchangeCorrelation()\n",
    "Uks = -2.*ones( len(R) )     # First iteration like hydrogen atom\n",
    "Eold=0\n",
    "\n",
    "for itt in range(30):\n",
    "    Bnd=[]\n",
    "    for l in range(nmax-1):\n",
    "        Bnd += FindBoundStates(R,l,nmax-l,Esearch,Uks)\n",
    "    Bnd.sort( cmpE )\n",
    "    \n",
    "    (rho_new,Ebs) = ChargeDensity(Bnd,R,Zatom,Uks)\n",
    "    \n",
    "    if itt>0:\n",
    "        rho = rho_new*mixr + (1-mixr)*rho_old\n",
    "    else:\n",
    "        rho = rho_new\n",
    "    rho_old = copy(rho_new)\n",
    "    \n",
    "    U = HartreeU(R, rho)\n",
    "    \n",
    "    Vxc = [2*exc.Vx(rs(rh)) + 2*exc.Vc(rs(rh)) for rh in rho]\n",
    "    \n",
    "    Uks = U-2*Zatom + Vxc*R\n",
    "    \n",
    "    # Total energy\n",
    "    ExcVxc = array([2*exc.EcVc(rs(rh))+2*exc.ExVx(rs(rh)) for rh in rho])\n",
    "    pot=(ExcVxc*R**2-0.5*U*R)*rho*4*pi\n",
    "    Etot = integrate.romb(pot, R[1]-R[0]) + Ebs\n",
    "    print 'Itteration', itt, 'Etot[Ry]=', Etot, 'Etot[Hartre]=', Etot/2, 'Diff=', abs(Etot-Eold)\n",
    "    if itt>0 and abs(Etot-Eold)<Etol: break\n",
    "    Eold = Etot\n",
    "    \n",
    "    print 'Total density has weight=', integrate.simps(rho*(4*pi*R**2), x=R)\n",
    "  \n",
    "\n",
    "plot(R, rho*(4*pi*R**2),'--', label='rho')\n",
    "legend(loc='best')\n",
    "xlim([0,10])\n",
    "show()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {
    "collapsed": true
   },
   "outputs": [],
   "source": []
  }
 ],
 "metadata": {
  "kernelspec": {
   "display_name": "Python 2",
   "language": "python",
   "name": "python2"
  },
  "language_info": {
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    "name": "ipython",
    "version": 2
   },
   "file_extension": ".py",
   "mimetype": "text/x-python",
   "name": "python",
   "nbconvert_exporter": "python",
   "pygments_lexer": "ipython2",
   "version": "2.7.10"
  }
 },
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