mod_wfmesh Module
Creation of the radial mesh for the old-solver
Uses
-
- mod_datatypes
Subroutines
public subroutine wfmesh(e, ek, cvlight, nsra, z, r, s, rs, irm, irmd, lmaxd)
- License
- Category
- radial-grid, KKRhost
C r e a t i o n
o f
t h e
r a d i a l
m e s h
f o r
t h e
o l d - s o l v e r
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| complex(kind=dp), | intent(in) | :: | e | |||
| complex(kind=dp), | intent(inout) | :: | ek | |||
| real(kind=dp), | intent(in) | :: | cvlight |
Speed of light divided by the fine structure constant |
||
| integer, | intent(in) | :: | nsra | |||
| real(kind=dp), | intent(in) | :: | z |
Nuclear charge |
||
| real(kind=dp), | intent(in), | dimension(irmd) | :: | r |
Set of real space vectors (in a.u.) |
|
| real(kind=dp), | intent(inout), | dimension(0:lmaxd) | :: | s | ||
| real(kind=dp), | intent(inout), | dimension(irmd, 0:lmaxd) | :: | rs | ||
| integer, | intent(in) | :: | irm |
Current radial point |
||
| integer, | intent(in) | :: | irmd |
Maximum number of radial points |
||
| integer, | intent(in) | :: | lmaxd |
Maximum l component in wave function expansion |