[Pw_forum] USPP are not implemented
Neel Singh
neelphysics at yahoo.in
Sun Aug 2 10:10:35 CEST 2009
Hi All,
I was calculating the optical properties and during
epsilon calculation, I got
Performing eps calculation...
%%%%%%
from grid_build : error # 1
USPP are not implemented
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping
...
=====================================
Then, I searched the Pwscf Forum and found that epsilon.x does not work with Ultra-soft pseudo potentials.
http://www.democritos.it/pipermail/pw_forum/2006-December/005586.html
I also tried with ABINIT PP's but getting error. Please advise. From where i can get the other PPs or one has to genrate using the genration package given at http://www.pwscf.org/pseudo.htm/or using ld1.x code or what is the alternate option as i dont know how to genrate the PPs?? please give any suggestion.
Thanks
Neel
singh,
University of Delhi,
INDIA
Yahoo! recommends that you upgrade to the new and safer Internet Explorer 8.
-----Inline Attachment Follows-----
_______________________________________________
Pw_forum mailing list
Pw_forum at pwscf.org
http://www.democritos.it/mailman/listinfo/pw_forum
Looking for local information? Find it on Yahoo! Local
-----Inline Attachment Follows-----
_______________________________________________
Pw_forum mailing list
Pw_forum at pwscf.org
http://www.democritos.it/mailman/listinfo/pw_forum
See the Web's breaking stories, chosen by people like you. Check out Yahoo! Buzz.
See the Web's breaking stories, chosen by people like you. Check out Yahoo! Buzz. http://in.buzz.yahoo.com/
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090802/6d493049/attachment.htm
More information about the Pw_forum
mailing list