Set the values of the local variables related to the electronic density
in the t_params
data types. Store the values of the density in main2
Type | Intent | Optional | Attributes | Name | ||
---|---|---|---|---|---|---|
type(type_params), | intent(inout) | :: | t_params | |||
real(kind=dp), | intent(out) | :: | rho2ns(irm,lmpot,natyp,2) | |||
real(kind=dp), | intent(out), | dimension (irm, lmpot, natyp, 2) | :: | r2nef | ||
real(kind=dp), | intent(out), | dimension (irm, npotd) | :: | rhoc | ||
real(kind=dp), | intent(out) | :: | denef | |||
real(kind=dp), | intent(out), | dimension (natyp) | :: | denefat | ||
real(kind=dp), | intent(out), | dimension (0:lmaxd1, npotd) | :: | espv | ||
real(kind=dp), | intent(out), | dimension (20, npotd) | :: | ecore | ||
integer, | intent(out) | :: | idoldau | |||
integer, | intent(out), | dimension (natyp) | :: | lopt | ||
real(kind=dp), | intent(out), | dimension (natyp) | :: | eu | ||
real(kind=dp), | intent(out), | dimension (natyp) | :: | edc | ||
real(kind=dp), | intent(out) | :: | chrgsemicore | |||
real(kind=dp), | intent(out), | dimension (irm*krel+(1-krel), natyp) | :: | rhoorb | ||
real(kind=dp), | intent(out), | dimension (krel*20+(1-krel), npotd) | :: | ecorerel | ||
integer, | intent(out), | dimension (20, natyp) | :: | nkcore | ||
integer, | intent(out), | 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 |