wfint Subroutine
- R. Zeller
-
- numerical-tools, single-site, KKRhost
- 49 statements
- Source File
public subroutine wfint(qns, cder, dder, 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.
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| complex(kind=dp), | intent(in), | dimension(lmmaxd, lmmaxd, irmind:irmd, 2) | :: | qns | ||
| 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) | :: | 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 |