Search found 3 matches

by khaled06
Sat Oct 15, 2011 4:06 pm
Forum: Link to other codes
Topic: view moments
Replies: 0
Views: 2215

view moments

in spin-orbit case, what do to obtain the atomic moments (spin+orbital).
by khaled06
Fri Oct 14, 2011 12:37 pm
Forum: Ground state
Topic: [abinit-forum] band structure calculation for graphene
Replies: 2
Views: 3783

spin-orbit

Hello
what do to obtain atomic moments when spin-orbit is considered.
when nspden is equal to 4 and nsppol=1, nspinors=2, in this case, i am in the non magnetic case.
by khaled06
Fri Oct 14, 2011 11:58 am
Forum: Link to other codes
Topic: Pseudopotential file pspxc not equal to input ixc
Replies: 3
Views: 4426

spin-orbit using abinit

Hello,
concerning the spin-orbit interaction using abinit.
what do to obtain the atomic moments (spin and orbital) in the three directions.
thank you before