[Pw_forum] Epsilon error

Neel Singh neelphysics at yahoo.in
Sat Aug 1 10:35:02 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. But for my system ,i have not found norm conserving PP or any other. I also tried with ABINIT pseudo PP's but getting error. Please advise. From where i can get the PPs or one has to genrate using the genration package given at http://www.pwscf.org/pseudo.htm or what is the alternate option??

Thanks

Neel singh,
University of Delhi,
INDIA



      Looking for local information? Find it on Yahoo! Local http://in.local.yahoo.com/
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090801/e99f01d6/attachment.htm 


More information about the Pw_forum mailing list