Hi all...
I have a doubt regarding giving atom index in non-collinear calculations..
suppose if my system contain total 10 atoms.. . and in that 3 atom species
are there, say 1,2 and 3.then while specifying spin direction in DM Init
spin, is it correct if I specify only for the 3 non equivalent atoms..if all
atoms are having same spin orientation...
like ,
%block DM.InitSpin
1 +
2 +
3 +
%endblock DM.InitSpin
or have I need to specify for all the 10 atom numbers here from 1 to
10........like 1 + , 2 + .... ..10 +
can anybody please clarify my doubt??
thanks in advance
Asa
