Dear Xavier
I tried as you suggested, but only case.inorb got created and next it
showed again the same message. Then i manually created the case.indm file,
the scf runs only a single cycle . Thereafter showing a Stop message
Thanks
On Tue, Aug 2, 2016 at 1:45 PM, Xavier Rocquefelte <
xavier.ro
Dear wien users
For the purpose of determing the ground state magnetic structure of a NiAs
structure, I have studied the three possibles magnetic structures, but for
one of them I have found an othorhombic structure.
Is it possible to get a such structure?
Best regards
--
Mr: A.Reggad
Laboratoi
2 matches
Mail list logo