[Pw_forum] very high pressure in scf

[Sanjay D. Gupta]

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.
>From ABINIT, it is GGA-FHI pseudo, while in pwscf it is UPF.

Please suggest me. Thanks in advance.

Best Regards
Sanjay D. Gupta






~Best Regards
...........................................................
Sanjay D. Gupta
Research Fellow
Department of Physics,
Bhavnagar University, Bhavnagar-364 022
Gujarat, Mobile-9879666643
email:guptasanjay_56 at yahoo.co.in
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