[Pw_forum] problem with vc-relax

Olga Sedelnikova o.sedelnikova at gmail.com
Thu Jul 29 06:24:07 CEST 2010


Dear All,

I have improved the cutoff energy (30 Ry) and used C.pbe-rrkjus.UPF.
 All calculations of graphite and graphene were successful for damp and bfgs
dynamics.
Thank you very much for your kind help!

-- 
Best wishes,
Olga Sedelnikova
Nikolaev Institute of Inorganic Chemistry of SB RAS
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