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
.
D e t e r m i n e s
t h e
i n t e g r a n d s
C
D
E
R
,
D
D
E
R
o r
A
D
E
R
,
B
D
E
R
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 |
D e t e r m i n e s
t h e
i n t e g r a n d s
C
D
E
R
,
D
D
E
R
o r
A
D
E
R
,
B
D
E
R
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 |