W r i t e s
t h e
p o t e n t i a l
f i l e
Type | Intent | Optional | Attributes | Name | ||
---|---|---|---|---|---|---|
integer | :: | NSPIN | ||||
integer | :: | NATOM | ||||
real(kind=8) | :: | ZATOM(NATOM) | ||||
real(kind=8) | :: | ALAT | ||||
integer | :: | NRMAXD | ||||
integer | :: | LMAXD | ||||
integer | :: | INS | ||||
real(kind=8) | :: | QBOUND | ||||
real(kind=8) | :: | EFERMI | ||||
real(kind=8) | :: | VBC(2) | ||||
type(CELL_TYPE) | :: | CELL(NATOM) | ||||
type(corestate_type) | :: | CORESTATE(NATOM) | ||||
integer | :: | LMAXATOM(NATOM) | ||||
real(kind=8) | :: | vpot_out(:,:,:,:) |