mod_wfint Module
- R. Zeller
-
- 89 statements
- Source File
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.
Uses
-
- mod_datatypes
Subroutines
public subroutine wfint0(cder, dder, qzlm, qzekdr, pzekdr, vnspll, nsra, irmind, irmd, lmmaxd, irmin, irmax)
- Author
- R. Zeller
- License
- Category
- numerical-tools, single-site, KKRhost
Determines the integrands CDER, DDER or ADER, BDER
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 |
public subroutine wfint(qns, cder, dder, qzekdr, pzekdr, vnspll, nsra, irmind, irmd, lmmaxd, irmin, irmax)
- Author
- R. Zeller
- License
- Category
- numerical-tools, single-site, KKRhost
Determines the integrands CDER, DDER or ADER, BDER
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 |