Re: [Wien] changing EXC-POT

[Peter Blaha]

Yes, of course. This is exactly the way to do it.

On 01/28/2016 07:47 AM, emami seyyed amir abbas wrote:

dear users

I am trying to obtain electronic properties of a compound by using two
exchange potential (pbe and engel-vosko). I first run a calculation by
use GGA now is it possible to i just save the calculation, change the
potential in case.in0 and re-run the calculation. i mean is it possible
to use the old calculation and old .CLM for new potential.
thank you in advance


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  P.Blaha
--
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300 FAX: +43-1-58801-165982
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[Wien] changing EXC-POT

[emami seyyed amir abbas]

dear users


I am trying to obtain electronic properties of a compound by using two exchange 
potential (pbe and engel-vosko). I first run a calculation by use GGA now is it 
possible to i just save the calculation, change the potential in case.in0 and 
re-run the calculation. i mean is it possible to use the old calculation and 
old .CLM for new potential. 
thank you in advance___
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html