wfint0 Subroutine
- R. Zeller
-
- numerical-tools, single-site, KKRhost
- 35 statements
- Source File
public subroutine wfint0(cder, dder, qzlm, qzekdr, pzekdr, vnspll, nsra, irmind, irmd, lmmaxd, irmin, irmax)
Determines the integrands CDER, DDER or ADER, BDER in the integral equations
for the non-spherical wavefunctions from the non-spherical contributions of the
potential vinsPLL. (This subroutine is used in zeroth order Born approximation,
otherwise subroutine WFINT must be used)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| complex(kind=dp), | intent(out), | dimension(lmmaxd, lmmaxd, irmind:irmd) | :: | cder | ||
| complex(kind=dp), | intent(out), | dimension(lmmaxd, lmmaxd, irmind:irmd) | :: | dder | ||
| complex(kind=dp), | intent(in), | dimension(lmmaxd, irmind:irmd, 2) | :: | qzlm | ||
| complex(kind=dp), | intent(in), | dimension(lmmaxd, irmind:irmd, 2) | :: | qzekdr | ||
| complex(kind=dp), | intent(in), | dimension(lmmaxd, irmind:irmd, 2) | :: | pzekdr | ||
| real(kind=dp), | intent(in), | dimension(lmmaxd, lmmaxd, irmind:irmd) | :: | vnspll | ||
| integer, | intent(in) | :: | nsra | |||
| integer, | intent(in) | :: | irmind |
irmd - irnsd |
||
| integer, | intent(in) | :: | irmd |
Maximum number of radial points |
||
| integer, | intent(in) | :: | lmmaxd |
(KREL+KORBIT+1)(LMAX+1)*2 |
||
| integer, | intent(in) | :: | irmin |
Max R for spherical treatment |
||
| integer, | intent(in) | :: | irmax |