c---------------------------------------------------------------------- subroutine HOODL(n,r0,omega,nmat,tu,veeu,vextu,dcusp,dl) c calcualates the log of the gs density of Hooke's atom c for arbitrary values of omega. c c author: Kieron Burke c in: c out: c calls: HOOKE,HOOKEDL implicit real*8(a-h,o-z) parameter (m=10000,nm=10,nm2=(nm+1)*(nm+2)/2) real*8 dl(0:*) real*8 cud(0:2*nm),cd(0:nm),dd(0:2*nm) real*8 h(0:nm,0:nm),en(0:nm),z(0:nm,0:nm) real*8 o(0:nm,0:nm),gaml(0:2*nm+2) real*8 h0((nm+1)*(nm+2)/2),h1((nm+1)*(nm+2)/2) real*8 over((nm+1)*(nm+2)/2),fv3(0:nm),fv4(0:nm) c---------------------------------------------------------------------- c---------------------------------------------------------------------- c n - number of grid points used for numerical integration c nm - (nm x nm) is the matrix size for the Hamiltonian and overlap c matrices c nm2 - size for an auxilary vector c rmax - cutoff value. For r > rmax the Kohn-Sham potential is set to 0 c---------------------------------------------------------------------- pi=4d0*atan(1d0) c---------------------------------------------------------------------- c call the subroutine hooke to get the expansion coefficients for the c ground state density for the current value of omega c ! it is in principle Kieron's program to solve Hooke's atom except c that it has now the form of a subroutine ! c nm - size of Hamiltonian and overlap matrices c omega - current value of omega for which the gs-density is searched c cud,cd,dd - vectors containing the expansion coefficients after the c diagonalization c h,z,o - matrices for Hamiltonian, eigenvectors and overlap c respectively c fv3,fv4,h0,h1 - auxilary vectors c gaml - vector used for values of the gamma function