[Pw_forum] error in running epsilon
Neel Singh
neelphysics at yahoo.in
Sat Aug 1 15:04:54 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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