mod_rhoout Module
- B. Drittler
-
- 96 statements
- Source File
Calculates the charge density from r(irmin) to r(irc) in case of a non
spherical input potential.
Fills the array cden for the complex density of states
Warning
The gaunt coeffients are stored in an index array (see subroutine gaunt)
the structure part of the greens-function (gmat) is symmetric in its lm-indices,
therefore only one half of the matrix is calculated in the subroutine for the
back-symmetrisation. The gaunt coeffients are symmetric too (since the are calculated for
real spherical harmonics). That is why the lm2-loop only goes up to lm1 and the summands are
multiplied by a factor of 2 in the case of lm1 not equal to lm2.
Subroutines
public subroutine rhoout(cden, df, gmat, ek, pns, qns, rho2ns, thetas, ifunm, ipan1, imt1, irmin, irmax, lmsp, cdenns, nsra, cleb, icleb, iend, cdenlm, cwr)
- Author
- B. Drittler
- License
- Category
- physical-observables, KKRhost
C a l c u l a t e s
t h e
c h a r g e
d e n s i t y
f r o m
r
(
i
r
m
i
n
)
t o
r
(
i
r
c
)
i n
c a s e
o f
a
n o n
s p h e r i c a l
i n p u t
p o t e n t i a l
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| complex(kind=dp) | :: | cden(irmd,0:*) | ||||
| complex(kind=dp) | :: | df | ||||
| complex(kind=dp) | :: | gmat(lmmaxd,lmmaxd) | ||||
| complex(kind=dp) | :: | ek | ||||
| complex(kind=dp) | :: | pns(lmmaxd,lmmaxd,irmind:irmd,2) | ||||
| complex(kind=dp) | :: | qns(lmmaxd,lmmaxd,irmind:irmd,2) | ||||
| real(kind=dp) | :: | rho2ns(irmd,lmpotd) | ||||
| real(kind=dp) | :: | thetas(irid,nfund) | ||||
| integer | :: | ifunm(*) | ||||
| integer | :: | ipan1 | ||||
| integer | :: | imt1 | ||||
| integer | :: | irmin | ||||
| integer | :: | irmax | ||||
| integer | :: | lmsp(*) | ||||
| complex(kind=dp) | :: | cdenns(*) | ||||
| integer | :: | nsra | ||||
| real(kind=dp) | :: | cleb(*) | ||||
| integer | :: | icleb(ncleb,4) | ||||
| integer | :: | iend | ||||
| complex(kind=dp) | :: | cdenlm(irmd,*) | ||||
| complex(kind=dp) | :: | cwr(irmd,lmmaxd,lmmaxd) |