[Pw_forum] very high pressure in scf

Sanjay D. Gupta guptasanjay.56 at gmail.com
Thu May 26 14:30:04 CEST 2011


Dear, PWSCF users,

Greetings!!!

Here I am facing problem of high pressure in per nitride materials. When we
do scf using two different platform such as ABINIT and PWSCF, we got
different pressure like abinit give nearly 20 GPa and pwscf gives 2720.7
GPa, while I am using same geometry and even same strcture. Two codes should
not differ so much, so I am not clear, where i am doing mistake.


More information about the Pw_forum mailing list