Transforms all the basis positions into the cartesian reference system
T r a n s f o r m s
a l l
t h e
b a s i s
p o s i t i o n s
i n t o
t h e
c a r t e s i a n
r e f e r e n c e
s y s t e m
Type | Intent | Optional | Attributes | Name | ||
---|---|---|---|---|---|---|
logical | :: | lcartesian | ||||
real(kind=dp) | :: | rbasis(3,*) | ||||
real(kind=dp) | :: | abasis | ||||
real(kind=dp) | :: | bbasis | ||||
real(kind=dp) | :: | cbasis | ||||
integer | :: | nlbasis | ||||
integer | :: | nrbasis | ||||
integer | :: | nleft | ||||
integer | :: | nright | ||||
real(kind=dp) | :: | zperleft(3) | ||||
real(kind=dp) | :: | zperight(3) | ||||
real(kind=dp) | :: | tleft(3,*) | ||||
real(kind=dp) | :: | tright(3,*) | ||||
logical | :: | linterface | ||||
integer | :: | naez | ||||
integer | :: | nemb | ||||
real(kind=dp) | :: | bravais(3,3) | ||||
integer | :: | kaoez(natypd,*) | ||||
integer | :: | noq(naezd) | ||||
integer | :: | naezd | ||||
integer | :: | natypd | ||||
integer | :: | nembd |