mod_potcut Module
Set potential equal zero between muffin-tin and outer sphere
Uses
-
- mod_datatypes
Subroutines
public subroutine potcut(imt1, irc1, ins, lmpot, r, vm2z, vspsme, vins, z1, irmd, irmind)
- License
- Category
- potential, KKRhost
S e t
p o t e n t i a l
e q u a l
z e r o
b e t w e e n
m u f f i n - t i n
a n d
o u t e r
s p h e r e
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| integer, | intent(in) | :: | imt1 |
R point at MT radius |
||
| integer, | intent(in) | :: | irc1 |
R point for potential cutting |
||
| integer, | intent(in) | :: | ins |
(LPOT+1)**2 |
||
| integer, | intent(in) | :: | lmpot |
(LPOT+1)**2 |
||
| real(kind=dp), | intent(in), | dimension(*) | :: | r |
Radial mesh ( in units a Bohr) |
|
| real(kind=dp), | intent(inout), | dimension(*) | :: | vm2z | ||
| real(kind=dp), | intent(inout), | dimension(*) | :: | vspsme | ||
| real(kind=dp), | intent(inout), | dimension(irmind:irmd, *) | :: | vins |
Non-spherical part of the potential |
|
| real(kind=dp), | intent(in) | :: | z1 |
Nuclear charge |
||
| integer, | intent(in) | :: | irmd |
Maximum number of radial points |
||
| integer, | intent(in) | :: | irmind |
irmd - irnsd |