[Pw_forum] Spherical integration of spin
baroni at sissa.it
Tue Sep 11 21:39:14 CEST 2007
> Anyone know how to perform spherical integration of spin by PWscf?
can you explain more precisely what you mean? the integration of the
spin polarization over atom-centered sphere, o something more esoteric?
> Or is there any other methods in PWscf can be used to determine
> oxidation state of an ion?
charge population analysis?
Stefano Baroni - SISSA & DEMOCRITOS National Simulation Center -
[+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni (skype)
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