../../../Bin/runatom.x I_ae_ref.adat I_ae_ref.out I_ae_ref.ae I_ae_ref.atwf I_ae_ref.logd dummy
beginning execution pseudopotential program version  7.3.6
 beginning the all electron calculation
completed self-consistent cycle   1 delta =  0.5550016D+01
completed self-consistent cycle   2 delta =  0.3479370D+01
completed self-consistent cycle   3 delta =  0.2611292D+01
completed self-consistent cycle   4 delta =  0.2028419D+01
completed self-consistent cycle   5 delta =  0.1604903D+01
completed self-consistent cycle   6 delta =  0.1285450D+01
completed self-consistent cycle   7 delta =  0.1038797D+01
completed self-consistent cycle   8 delta =  0.8455809D+00
completed self-consistent cycle   9 delta =  0.6925158D+00
completed self-consistent cycle  10 delta =  0.5699002D+00
completed self-consistent cycle  11 delta =  0.4713582D+00
completed self-consistent cycle  12 delta =  0.3913002D+00
completed self-consistent cycle  13 delta =  0.3496361D+00
completed self-consistent cycle  14 delta =  0.3178482D+00
completed self-consistent cycle  15 delta =  0.2886955D+00
completed self-consistent cycle  16 delta =  0.2620117D+00
completed self-consistent cycle  17 delta =  0.2375706D+00
completed self-consistent cycle  18 delta =  0.2153071D+00
completed self-consistent cycle  19 delta =  0.1949739D+00
completed self-consistent cycle  20 delta =  0.1764723D+00
completed self-consistent cycle  21 delta =  0.1596507D+00
completed self-consistent cycle  22 delta =  0.1443502D+00
completed self-consistent cycle  23 delta =  0.1304636D+00
completed self-consistent cycle  24 delta =  0.1178839D+00
completed self-consistent cycle  25 delta =  0.1064749D+00
completed self-consistent cycle  26 delta =  0.9613660D-01
completed self-consistent cycle  27 delta =  0.1837422D+00
completed self-consistent cycle  28 delta =  0.1671701D+00
completed self-consistent cycle  29 delta =  0.1519662D+00
completed self-consistent cycle  30 delta =  0.1380454D+00
completed self-consistent cycle  31 delta =  0.1253207D+00
completed self-consistent cycle  32 delta =  0.1137063D+00
completed self-consistent cycle  33 delta =  0.1031182D+00
completed self-consistent cycle  34 delta =  0.9347625D-01
completed self-consistent cycle  35 delta =  0.8470391D-01
completed self-consistent cycle  36 delta =  0.7672921D-01
completed self-consistent cycle  37 delta =  0.6948469D-01
completed self-consistent cycle  38 delta =  0.6290756D-01
completed self-consistent cycle  39 delta =  0.5693955D-01
completed self-consistent cycle  40 delta =  0.5152683D-01
completed self-consistent cycle  41 delta =  0.4661979D-01
completed self-consistent cycle  42 delta =  0.4217285D-01
completed self-consistent cycle  43 delta =  0.3814420D-01
completed self-consistent cycle  44 delta =  0.3449557D-01
completed self-consistent cycle  45 delta =  0.3119197D-01
completed self-consistent cycle  46 delta =  0.2820149D-01
completed self-consistent cycle  47 delta =  0.2549503D-01
completed self-consistent cycle  48 delta =  0.2304606D-01
completed self-consistent cycle  49 delta =  0.2083048D-01
completed self-consistent cycle  50 delta =  0.1882636D-01
completed self-consistent cycle  51 delta =  0.1701377D-01
completed self-consistent cycle  52 delta =  0.1537462D-01
completed self-consistent cycle  53 delta =  0.1389249D-01
completed self-consistent cycle  54 delta =  0.1255247D-01
completed self-consistent cycle  55 delta =  0.1134107D-01
completed self-consistent cycle  56 delta =  0.1024604D-01
completed self-consistent cycle  57 delta =  0.9256277D-02
completed self-consistent cycle  58 delta =  0.8361739D-02
completed self-consistent cycle  59 delta =  0.7553320D-02
completed self-consistent cycle  60 delta =  0.6822778D-02
completed self-consistent cycle  61 delta =  0.6162653D-02
completed self-consistent cycle  62 delta =  0.5566192D-02
completed self-consistent cycle  63 delta =  0.5027284D-02
completed self-consistent cycle  64 delta =  0.4540402D-02
completed self-consistent cycle  65 delta =  0.4100544D-02
completed self-consistent cycle  66 delta =  0.3703186D-02
completed self-consistent cycle  67 delta =  0.3344237D-02
completed self-consistent cycle  68 delta =  0.3019999D-02
completed self-consistent cycle  69 delta =  0.2727125D-02
completed self-consistent cycle  70 delta =  0.2462592D-02
completed self-consistent cycle  71 delta =  0.2223666D-02
completed self-consistent cycle  72 delta =  0.2007874D-02
completed self-consistent cycle  73 delta =  0.1812983D-02
completed self-consistent cycle  74 delta =  0.1636975D-02
completed self-consistent cycle  75 delta =  0.1478023D-02
completed self-consistent cycle  76 delta =  0.1334479D-02
completed self-consistent cycle  77 delta =  0.1204854D-02
completed self-consistent cycle  78 delta =  0.1087800D-02
completed self-consistent cycle  79 delta =  0.9821002D-03
completed self-consistent cycle  80 delta =  0.8866564D-03
completed self-consistent cycle  81 delta =  0.8004750D-03
completed self-consistent cycle  82 delta =  0.7226590D-03
completed self-consistent cycle  83 delta =  0.6523977D-03
completed self-consistent cycle  84 delta =  0.5889589D-03
completed self-consistent cycle  85 delta =  0.5316814D-03
completed self-consistent cycle  86 delta =  0.4799676D-03
completed self-consistent cycle  87 delta =  0.4332780D-03
completed self-consistent cycle  88 delta =  0.3911252D-03
completed self-consistent cycle  89 delta =  0.3530690D-03
completed self-consistent cycle  90 delta =  0.3187118D-03
completed self-consistent cycle  91 delta =  0.2876946D-03
completed self-consistent cycle  92 delta =  0.2596931D-03
completed self-consistent cycle  93 delta =  0.2344144D-03
completed self-consistent cycle  94 delta =  0.2115942D-03
completed self-consistent cycle  95 delta =  0.1909936D-03
completed self-consistent cycle  96 delta =  0.1723969D-03
completed self-consistent cycle  97 delta =  0.1556095D-03
completed self-consistent cycle  98 delta =  0.1404556D-03
completed self-consistent cycle  99 delta =  0.1267762D-03
completed self-consistent cycle 100 delta =  0.1144281D-03
completed self-consistent cycle 101 delta =  0.1032818D-03
completed self-consistent cycle 102 delta =  0.9322053D-04
completed self-consistent cycle 103 delta =  0.8413873D-04
completed self-consistent cycle 104 delta =  0.7594113D-04
completed self-consistent cycle 105 delta =  0.6854173D-04
completed self-consistent cycle 106 delta =  0.6186284D-04
completed self-consistent cycle 107 delta =  0.5583438D-04
completed self-consistent cycle 108 delta =  0.5039304D-04
completed self-consistent cycle 109 delta =  0.4548170D-04
completed self-consistent cycle 110 delta =  0.4104876D-04
completed self-consistent cycle 111 delta =  0.3704767D-04
completed self-consistent cycle 112 delta =  0.3343637D-04
completed self-consistent cycle 113 delta =  0.3017691D-04
completed self-consistent cycle 114 delta =  0.2723505D-04
completed self-consistent cycle 115 delta =  0.2457985D-04
completed self-consistent cycle 116 delta =  0.2218340D-04
completed self-consistent cycle 117 delta =  0.2002052D-04
completed self-consistent cycle 118 delta =  0.1806840D-04
completed self-consistent cycle 119 delta =  0.1630655D-04
completed self-consistent cycle 120 delta =  0.1471660D-04
completed self-consistent cycle 121 delta =  0.1328143D-04
completed self-consistent cycle 122 delta =  0.1198618D-04
completed self-consistent cycle 123 delta =  0.1086766D-04
completed self-consistent cycle 124 delta =  0.9864004D-05
completed self-consistent cycle 125 delta =  0.8952799D-05
completed self-consistent cycle 126 delta =  0.8125551D-05
completed self-consistent cycle 127 delta =  0.7374545D-05
completed self-consistent cycle 128 delta =  0.6692771D-05
completed self-consistent cycle 129 delta =  0.6073866D-05
completed self-consistent cycle 130 delta =  0.5512044D-05
completed self-consistent cycle 131 delta =  0.5002055D-05
completed self-consistent cycle 132 delta =  0.4539131D-05
completed self-consistent cycle 133 delta =  0.4118939D-05
completed self-consistent cycle 134 delta =  0.3737544D-05
completed self-consistent cycle 135 delta =  0.3391375D-05
completed self-consistent cycle 136 delta =  0.3077185D-05
completed self-consistent cycle 137 delta =  0.2792031D-05
completed self-consistent cycle 138 delta =  0.2533233D-05
completed self-consistent cycle 139 delta =  0.2298364D-05
completed self-consistent cycle 140 delta =  0.2085215D-05
completed self-consistent cycle 141 delta =  0.1891783D-05
completed self-consistent cycle 142 delta =  0.1716986D-05
completed self-consistent cycle 143 delta =  0.1558684D-05
completed self-consistent cycle 144 delta =  0.1414938D-05
completed self-consistent cycle 145 delta =  0.1284414D-05
completed self-consistent cycle 146 delta =  0.1165898D-05
completed self-consistent cycle 147 delta =  0.1058288D-05
completed self-consistent cycle 148 delta =  0.9605860D-06
completed self-consistent cycle 149 delta =  0.8718803D-06
completed self-consistent cycle 150 delta =  0.7913446D-06
completed self-consistent cycle 151 delta =  0.7182279D-06
completed self-consistent cycle 152 delta =  0.6518494D-06
completed self-consistent cycle 153 delta =  0.5915912D-06
completed self-consistent cycle 154 delta =  0.5368901D-06
completed self-consistent cycle 155 delta =  0.4872321D-06
completed self-consistent cycle 156 delta =  0.4421565D-06
completed self-consistent cycle 157 delta =  0.4012402D-06
completed self-consistent cycle 158 delta =  0.3641022D-06
completed self-consistent cycle 159 delta =  0.3303924D-06
completed self-consistent cycle 160 delta =  0.2997967D-06
completed self-consistent cycle 161 delta =  0.2720271D-06
completed self-consistent cycle 162 delta =  0.2468237D-06
completed self-consistent cycle 163 delta =  0.2239506D-06
completed self-consistent cycle 164 delta =  0.2031899D-06
completed self-consistent cycle 165 delta =  0.1843520D-06
completed self-consistent cycle 166 delta =  0.1672562D-06
completed self-consistent cycle 167 delta =  0.1517414D-06
completed self-consistent cycle 168 delta =  0.1376626D-06
completed self-consistent cycle 169 delta =  0.1248878D-06
completed self-consistent cycle 170 delta =  0.1132952D-06
completed self-consistent cycle 171 delta =  0.1027745D-06
completed self-consistent cycle 172 delta =  0.9323198D-07
completed self-consistent cycle 173 delta =  0.8457129D-07
completed self-consistent cycle 174 delta =  0.7671422D-07
completed self-consistent cycle 175 delta =  0.6958623D-07
completed self-consistent cycle 176 delta =  0.6311856D-07
completed self-consistent cycle 177 delta =  0.5725130D-07
completed self-consistent cycle 178 delta =  0.5192689D-07
completed self-consistent cycle 179 delta =  0.4710214D-07
completed self-consistent cycle 180 delta =  0.4274515D-07
completed self-consistent cycle 181 delta =  0.3879200D-07
completed self-consistent cycle 182 delta =  0.3520339D-07
completed self-consistent cycle 183 delta =  0.3194528D-07
completed self-consistent cycle 184 delta =  0.2898777D-07
completed self-consistent cycle 185 delta =  0.2630480D-07
completed self-consistent cycle 186 delta =  0.2386917D-07
completed self-consistent cycle 187 delta =  0.2165930D-07
completed self-consistent cycle 188 delta =  0.1965216D-07
completed self-consistent cycle 189 delta =  0.1783224D-07
completed self-consistent cycle 190 delta =  0.1617977D-07
completed self-consistent cycle 191 delta =  0.1467907D-07
completed self-consistent cycle 192 delta =  0.1331794D-07
completed self-consistent cycle 193 delta =  0.1208349D-07
completed self-consistent cycle 194 delta =  0.1096328D-07
completed self-consistent cycle 195 delta =  0.9945561D-08
completed self-consistent cycle 196 delta =  0.9022787D-08
completed self-consistent cycle 197 delta =  0.7958704D-08
completed self-consistent cycle 198 delta =  0.7466024D-08
completed self-consistent cycle 199 delta =  0.6580825D-08
completed self-consistent cycle 200 delta =  0.6173025D-08
completed self-consistent cycle 201 delta =  0.5435407D-08
completed self-consistent cycle 202 delta =  0.5099629D-08
completed self-consistent cycle 203 delta =  0.4486735D-08
completed self-consistent cycle 204 delta =  0.3978735D-08
completed self-consistent cycle 205 delta =  0.3879439D-08
completed self-consistent cycle 206 delta =  0.3386796D-08
completed self-consistent cycle 207 delta =  0.2978872D-08
completed self-consistent cycle 208 delta =  0.2958062D-08
completed self-consistent cycle 209 delta =  0.2548084D-08
completed self-consistent cycle 210 delta =  0.2235740D-08
completed self-consistent cycle 211 delta =  0.1991034D-08
completed self-consistent cycle 212 delta =  0.1788821D-08
completed self-consistent cycle 213 delta =  0.1953799D-08
completed self-consistent cycle 214 delta =  0.1648290D-08
completed self-consistent cycle 215 delta =  0.1406284D-08
completed self-consistent cycle 216 delta =  0.1239120D-08
completed self-consistent cycle 217 delta =  0.1103705D-08
completed self-consistent cycle 218 delta =  0.9927277D-09
 all electron calculation completed
../../../Bin/runatom.x I_ps.adat I_ps.out I_ae_ref.ae I_ps.atwf I_ps.logd I_ps.uspp
beginning execution pseudopotential program version  7.3.6
 beginning the all electron calculation
completed self-consistent cycle   1 delta =  0.1974613D-07
completed self-consistent cycle   2 delta =  0.1579686D-07
completed self-consistent cycle   3 delta =  0.1263756D-07
completed self-consistent cycle   4 delta =  0.1010999D-07
completed self-consistent cycle   5 delta =  0.8087980D-08
completed self-consistent cycle   6 delta =  0.6470385D-08
completed self-consistent cycle   7 delta =  0.5176266D-08
completed self-consistent cycle   8 delta =  0.4141084D-08
completed self-consistent cycle   9 delta =  0.3312825D-08
completed self-consistent cycle  10 delta =  0.2650218D-08
completed self-consistent cycle  11 delta =  0.2120288D-08
completed self-consistent cycle  12 delta =  0.1696174D-08
completed self-consistent cycle  13 delta =  0.1356939D-08
completed self-consistent cycle  14 delta =  0.1085551D-08
completed self-consistent cycle  15 delta =  0.8684554D-09
 all electron calculation completed
> USpp->Abinit translator: first call
 constructing ibeta =           1
 constructing ibeta =           2
 constructing ibeta =           3
 constructing ibeta =           4
 constructing ibeta =           5
 constructing ibeta =           6
 construction of qqq and ddd complete
 pseudizing qfuncs for beta= 1
 pseudizing qfuncs for beta= 2
 pseudizing qfuncs for beta= 3
 pseudizing qfuncs for beta= 4
 pseudizing qfuncs for beta= 5
 pseudizing qfuncs for beta= 6
 qfunc pseudized
> USpp->Abinit translator: second call
> USpp->Abinit translator COMMENT:
  - Orthogonalization of projectors
    as been canceled...
 transformation of q and d complete
 transformation of qfunc complete
 transformation of qfcoef complete
> USpp->Abinit translator: third call
 fourier transforming the qfunctions
> USpp->Abinit translator: fourth call
 fourier transforming the core charge
 solving the schroedinger equation
 descreening the potential
 writing the pseudopotential to file
> USpp->Abinit translator: fifth call

> USpp->Abinit translator: launching translation utility

========================================================
==   uspp2abinit - v2.4.0:                            ==
==   Use D. Vanderbilt ultrasoft psp generator (uspp) ==
==   to produce a PAW atomic data file readable       ==
==   by Abinit (v5.4.3+)                              ==
========================================================

> USpp->Abinit translator INFO: file uspp2abinit.dat does not exists.

> USpp->Abinit translator COMMENT:
   No Real Space optimization will be done.

> USpp->Abinit translator INFO:
  Intg[n-tn-nhat]=-0.2E-03 (inside sph.),  0.1E-14 (whole space)

> USpp->Abinit translator INFO:
  Mesh size for valence density has been adjusted to  786

> USpp->Abinit translator COMMENT:
  Use "Bessel" shape function with
  compensation charge radius= 2.471

> USpp->Abinit translator INFO:
  Mesh size for core density has been adjusted to  749
  in order to get Zcore lower than given precision ( 0.10E-06).

> USpp->Abinit translator INFO:
  At r_vloc= 9.77 a.u., VHartree(ntild(Zv+Zc))= -Zv/r + -3.3771E-06
  This quantity must be as small as possible.

> PAW atomic data file successfully created.

> USPP2Abinit converter ended.

 fourier analysing pseudowavefunctions
 computing the logarithmic derivatives
 beginning search for possible ghost states
 eigensolution in bessel basis with cutoff 30.00
 eigensolution in bessel basis with cutoff 35.00
 eigensolution in bessel basis with cutoff 40.00
 eigensolution in bessel basis with cutoff 45.00
 eigensolution in bessel basis with cutoff 50.00
