[Pw_forum] Relativistic GGA ?

Andrea Dal Corso dalcorso at sissa.it
Wed Apr 18 16:10:05 CEST 2007


It is possible but not well tested. It should work well
for nonmagnetic systems, while it could have 
problems for magnetic systems. In any case if you find
strange behavior please report it to the forum.

Andrea


On Wed, 2007-04-18 at 16:00 +0200, Lazaro Calderin wrote:
> Hi guys, 
> 
> Is it possible to do relativistic GGA calculations with pwscf?
>         
> Thanks, Lazaro
> 
> 
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Andrea Dal Corso                    Tel. 0039-040-3787428
SISSA, Via Beirut 2/4               Fax. 0039-040-3787528
34014 Trieste (Italy)               e-mail: dalcorso at sissa.it




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