mod_shape_corr Module
Prepares shape corrections using gaussian quadrature as given by m. abramowitz and i.a. stegun, handbook of mathematical functions and applied mathematics series 55 (1968), pages 887 and 916.
Uses
-
- mod_datatypes
Functions
public function triangle(l1, l2, l3)
- License
- Category
- numerical-tools, KKRhost
Function to check if the angular momentum allows for the gaunt coefficients to be corrected
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| integer | :: | l1 | ||||
| integer | :: | l2 | ||||
| integer | :: | l3 |
Return Value logical
Subroutines
public subroutine shape_corr(lpot, natyp, gsh, ilm_map, imaxsh, lmsp, ntcell, w, yr, lassld, lmpotd, natypd, ngshd)
- License
- Category
- shape-functions, KKRhost
Prepares shape corrections using gaussian quadrature
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| integer | :: | lpot | ||||
| integer | :: | natyp | ||||
| real(kind=dp) | :: | gsh(ngshd) | ||||
| integer | :: | ilm_map(ngshd,3) | ||||
| integer | :: | imaxsh(0:lmpotd) | ||||
| integer | :: | lmsp(natypd,*) | ||||
| integer | :: | ntcell(*) | ||||
| real(kind=dp) | :: | w(lassld) | ||||
| real(kind=dp) | :: | yr(lassld,0:lassld,0:lassld) | ||||
| integer | :: | lassld | ||||
| integer | :: | lmpotd | ||||
| integer | :: | natypd | ||||
| integer | :: | ngshd |