regsol Subroutine

public subroutine regsol(cvlight, e, nsra, dlogdp, fz, hamf, mass, pz, dror, r, s, vm2z, z, ipan, ircut, idoldau, lopt, wldauav, cutoff, irmd, ipand, lmaxd)

Uses

    • mod_datatypes

Calculates the regular solution of the schroedinger equation or in semi relativistic approximation for a spherically averaged potential and given energy. To archieve greater presion the leading power (in schroedinger case s = l, in case of sra is analytically separated from the wavefunction. The t-matrix has to be determined at the mt radius in case of a mt calculation or at the ws radius in case of a ws calculation. Therefore the logarithmic derivative is calculated at that point (=ircut(ipan) )

Note

Ph. Mavropoulos March 2003 - Dec 2004, Munich/Juelich: LDA+U included

Arguments

Type IntentOptional Attributes Name
real(kind=dp) :: cvlight
complex(kind=dp) :: e
integer :: nsra
complex(kind=dp) :: dlogdp(0:lmaxd)
complex(kind=dp) :: fz(irmd,0:lmaxd)
complex(kind=dp) :: hamf(irmd,0:lmaxd)
complex(kind=dp) :: mass(irmd)
complex(kind=dp) :: pz(irmd,0:lmaxd)
real(kind=dp) :: dror(irmd)
real(kind=dp) :: r(irmd)
real(kind=dp) :: s(0:lmaxd)
real(kind=dp) :: vm2z(irmd)
real(kind=dp) :: z
integer :: ipan
integer :: ircut(0:ipand)
integer :: idoldau
integer :: lopt
real(kind=dp) :: wldauav
real(kind=dp) :: cutoff(irmd)
integer :: irmd
integer :: ipand
integer :: lmaxd