Reads in LDA+U arrays from formatted file ldaupot
R e a d s
i n
L D A + U
a r r a y s
f r o m
f o r m a t t e d
f i l e
l
d
a
u
p
o
t
Type | Intent | Optional | Attributes | Name | ||
---|---|---|---|---|---|---|
integer | :: | itrunldau | ||||
integer | :: | lopt(natypd) | ||||
real(kind=dp) | :: | ueff(natypd) | ||||
real(kind=dp) | :: | jeff(natypd) | ||||
real(kind=dp) | :: | erefldau(natypd) | ||||
integer | :: | natyp | ||||
real(kind=dp) | :: | wldau(mmaxd,mmaxd,nspind,natypd) | ||||
real(kind=dp) | :: | uldau(mmaxd,mmaxd,mmaxd,mmaxd,natypd) | ||||
complex(kind=dp) | :: | phildau(irmd,natypd) | ||||
integer | :: | irws(natypd) | ||||
integer | :: | ntldau | ||||
integer | :: | itldau(natypd) | ||||
integer | :: | irmd | ||||
integer | :: | natypd | ||||
integer | :: | nspind | ||||
integer | :: | mmaxd |