mod_setgijtab Module
rapper for the calculation of the elements of the Greens function will calculate the pairs depending on wheter one wishes to calculate the conductivity of the pair-wise Heisenberg exchange interactions.
Uses
-
- mod_datatypes
Subroutines
public subroutine setgijtab(linterface, icc, naez, iqat, rbasis, bravais, natomimp, atomimp, rclsimp, ijtabcalc, iofgij, jofgij, nqcalc, iqcalc, natomimpd, ijtabcalc_i)
- License
- Category
- input-output, reference-system, structural-greensfunction, KKRhost
W r a p p e r
f o r
t h e
c a l c u l a t i o n
o f
t h e
e l e m e n t s
o f
t h e
G r e e n s
f u n c t i o n
\ ( G _ { i j } \ )
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| logical | :: | linterface | ||||
| integer | :: | icc | ||||
| integer | :: | naez | ||||
| integer | :: | iqat(*) | ||||
| real(kind=dp) | :: | rbasis(3,*) | ||||
| real(kind=dp) | :: | bravais(3,3) | ||||
| integer | :: | natomimp | ||||
| integer | :: | atomimp(*) | ||||
| real(kind=dp) | :: | rclsimp(3,*) | ||||
| integer | :: | ijtabcalc(*) | ||||
| integer | :: | iofgij(*) | ||||
| integer | :: | jofgij(*) | ||||
| integer | :: | nqcalc | ||||
| integer | :: | iqcalc(*) | ||||
| integer | :: | natomimpd | ||||
| integer | :: | ijtabcalc_i(*) |