For details see vinters2010
Type | Intent | Optional | Attributes | Name | ||
---|---|---|---|---|---|---|
integer | :: | jatom | ||||
real(kind=8) | :: | amat(ntotatom,(lpotmax+1)**2,(lpotmax+1)**2) | ||||
real(kind=8) | :: | bmat(ntotatom,(lpotmax+1)**2) | ||||
real(kind=8) | :: | alat | ||||
type(gauntcoeff_type), | intent(in) | :: | gauntcoeff | |||
integer | :: | lpotmax | ||||
integer | :: | ntotatom | ||||
real(kind=8) | :: | ratom(3,ntotatom) |