[Wien] changing EXC-POT
emami seyyed amir abbas
a.a.emami at birjand.ac.ir
Thu Jan 28 07:47:25 CET 2016
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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20160128/bccf8575/attachment.html>
More information about the Wien
mailing list