save_density Subroutine
- Philipp Ruessmann
-
- communication, physical-observables, KKRhost
- 44 statements
- Source File
public subroutine save_density(t_params, rho2ns, r2nef, rhoc, denef, denefat, espv, ecore, idoldau, lopt, eu, edc, chrgsemicore, rhoorb, ecorerel, nkcore, kapcore, krel, natyp, npotd, irm, lmpot, lmaxd1)
Store the values of the local variables related to the electronic density
in the t_params data types. Save density after it has been calculated in
main1c, is further processed in main2
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| type(type_params), | intent(inout) | :: | t_params | |||
| real(kind=dp), | intent(in) | :: | rho2ns(irm,lmpot,natyp,2) | |||
| real(kind=dp), | intent(in) | :: | r2nef(irm,lmpot,natyp,2) | |||
| real(kind=dp), | intent(in) | :: | rhoc(irm,npotd) | |||
| real(kind=dp), | intent(in) | :: | denef | |||
| real(kind=dp), | intent(in) | :: | denefat(natyp) | |||
| real(kind=dp), | intent(in) | :: | espv(0:lmaxd1,npotd) | |||
| real(kind=dp), | intent(in) | :: | ecore(20,npotd) | |||
| integer, | intent(in) | :: | idoldau | |||
| integer, | intent(in), | dimension (natyp) | :: | lopt | ||
| real(kind=dp), | intent(in) | :: | eu(natyp) | |||
| real(kind=dp), | intent(in) | :: | edc(natyp) | |||
| real(kind=dp), | intent(in) | :: | chrgsemicore | |||
| real(kind=dp), | intent(in) | :: | rhoorb(irm*krel+(1-krel),natyp) | |||
| real(kind=dp), | intent(in) | :: | ecorerel(krel*20+(1-krel),npotd) | |||
| integer, | intent(in), | dimension (20, natyp) | :: | nkcore | ||
| integer, | intent(in), | dimension (20, npotd) | :: | kapcore | ||
| integer, | intent(in) | :: | krel | |||
| integer, | intent(in) | :: | natyp | |||
| integer, | intent(in) | :: | npotd | |||
| integer, | intent(in) | :: | irm | |||
| integer, | intent(in) | :: | lmpot | |||
| integer, | intent(in) | :: | lmaxd1 |