mod_readimppot Module
- N. H. Long
-
- 176 statements
- Source File
Reads the potential and shape functions of impurity
Note
Jonathan Chico: There is an array called scale used in this routine,
this is the same name than the FORTRAN intrinsic function scale(). It
might be a good idea to change this name.
Uses
-
- mod_datatypes
Subroutines
public subroutine readimppot(natomimp, ins, ipf, ipfe, ipe, kws, nspin, lpot, ipanimp, thetasimp, ircutimp, irwsimp, khfeld, hfield, vinsimp, vm2zimp, irminimp, rimp, zimp, irmd, irnsd, irid, nfund, ipand)
- Author
- N. H. Long
- License
- Category
- input-output, shape-functions, potential, KKRhost
R e a d s
t h e
p o t e n t i a l
a n d
s h a p e
f u n c t i o n s
o f
i m p u r i t y
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| integer | :: | natomimp | ||||
| integer | :: | ins | ||||
| integer | :: | ipf | ||||
| integer | :: | ipfe | ||||
| integer | :: | ipe | ||||
| integer | :: | kws | ||||
| integer | :: | nspin | ||||
| integer | :: | lpot | ||||
| integer | :: | ipanimp(natomimp) | ||||
| real(kind=dp) | :: | thetasimp(irid,nfund,natomimp) | ||||
| integer | :: | ircutimp(0:ipand,natomimp) | ||||
| integer | :: | irwsimp(natomimp) | ||||
| integer | :: | khfeld | ||||
| real(kind=dp) | :: | hfield | ||||
| real(kind=dp) | :: | vinsimp((irmd-irnsd):irmd,(lpot+1)**2,natomimp*nspin) | ||||
| real(kind=dp) | :: | vm2zimp(irmd,natomimp*nspin) | ||||
| integer | :: | irminimp(natomimp) | ||||
| real(kind=dp) | :: | rimp(irmd,natomimp) | ||||
| real(kind=dp) | :: | zimp(natomimp) | ||||
| integer | :: | irmd | ||||
| integer | :: | irnsd | ||||
| integer | :: | irid | ||||
| integer | :: | nfund | ||||
| integer | :: | ipand |