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How to vary temperature in GS calculations

Posted: Fri Dec 02, 2011 12:20 am
by omar11
Dear all,

Is there a way to vary temperature in GS calculations?
I didn't find a variable for temperature in the input variables.

Re: How to vary temperature in GS calculations

Posted: Tue Dec 06, 2011 5:03 pm
by sponce
Dear Omar,

The computation of calculation at non zero temperature mean including phonons in you calculation. This is implemented in the response part of abinit but not fully working...

So I would say that no, you cannot vary temperature in a GS run.

Cheers