How to vary temperature in GS calculations

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omar11
Posts: 5
Joined: Thu Oct 20, 2011 6:14 pm

How to vary temperature in GS calculations

Post by omar11 » Fri Dec 02, 2011 12:20 am

Dear all,

Is there a way to vary temperature in GS calculations?
I didn't find a variable for temperature in the input variables.
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sponce
Posts: 60
Joined: Sat Apr 16, 2011 9:44 am

Re: How to vary temperature in GS calculations

Post by sponce » Tue Dec 06, 2011 5:03 pm

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
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