Calculates the force on nucleus m from a given non spherical charge density at the nucleus site r with core correction (coulomb contribution)
C a l c u l a t e s
f o r c e
o n
n u c l e u s
w i t h
c o r e
c o n t r i b u t i o n
( C o u l o m b
c o n t r i b u t i o n )
Type | Intent | Optional | Attributes | Name | ||
---|---|---|---|---|---|---|
double precision | :: | FLM(-1:1,NATOM) | ||||
double precision | :: | FLMC(-1:1,NATOM) | ||||
integer | :: | LMAX | ||||
integer | :: | NSPIN | ||||
integer | :: | NATOM | ||||
double precision | :: | VPOT(IRMD,LMPOTD,NSPIN,NATOM) | ||||
type(DENSITY_TYPE) | :: | DENSITY(NATOM) | ||||
type(CELL_TYPE) | :: | CELL(NATOM) | ||||
integer | :: | IRMD | ||||
integer | :: | LMPOTD | ||||
integer | :: | INS |