save_scfinfo Subroutine
- Philipp Ruessmann
-
- communication, KKRhost
- 48 statements
- Source File
public subroutine save_scfinfo(t_params, vins, visp, ecore, vbc, rmrel, drdirel, r2drdirel, zrel, jwsrel, irshift, vtrel, btrel, itscf, scfsteps, efold, chrgold, cmomhost, krel, irmind, irm, lmpot, nspotd, natyp, npotd, nembd1)
Store the values of the local variables related to the SCF parameters
in the t_params data types. Save information that is needed in next iteration
and that is changeing, i.e. potential etc.
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| type(type_params), | intent(inout) | :: | t_params | |||
| real(kind=dp), | intent(in), | dimension (irmind:irm, lmpot, nspotd) | :: | vins | ||
| real(kind=dp), | intent(in), | dimension (irm, npotd) | :: | visp | ||
| real(kind=dp), | intent(in), | dimension (20, npotd) | :: | ecore | ||
| real(kind=dp), | intent(in), | dimension (2) | :: | vbc | ||
| real(kind=dp), | intent(in), | dimension (irm*krel+(1-krel), natyp) | :: | rmrel | ||
| real(kind=dp), | intent(in), | dimension (irm*krel+(1-krel), natyp) | :: | drdirel | ||
| real(kind=dp), | intent(in), | dimension (irm*krel+(1-krel), natyp) | :: | r2drdirel | ||
| integer, | intent(in), | dimension (natyp) | :: | zrel | ||
| integer, | intent(in), | dimension (natyp) | :: | jwsrel | ||
| integer, | intent(in), | dimension (natyp) | :: | irshift | ||
| real(kind=dp), | intent(in), | dimension (irm*krel+(1-krel), natyp) | :: | vtrel | ||
| real(kind=dp), | intent(in), | dimension (irm*krel+(1-krel), natyp) | :: | btrel | ||
| integer, | intent(in) | :: | itscf | |||
| integer, | intent(in) | :: | scfsteps | |||
| real(kind=dp), | intent(in) | :: | efold | |||
| real(kind=dp), | intent(in) | :: | chrgold | |||
| real(kind=dp), | intent(in), | dimension (lmpot, nembd1) | :: | cmomhost | ||
| integer, | intent(in) | :: | krel | |||
| integer, | intent(in) | :: | irmind | |||
| integer, | intent(in) | :: | irm | |||
| integer, | intent(in) | :: | lmpot | |||
| integer, | intent(in) | :: | nspotd | |||
| integer, | intent(in) | :: | natyp | |||
| integer, | intent(in) | :: | npotd | |||
| integer, | intent(in) | :: | nembd1 |