[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


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