[Pw_forum] pressure at 20Gpa

Xi Zhu 0200ustc at gmail.com
Mon Jan 18 14:32:12 CET 2016


for pseudo-potential  calculation, 40GPa is around the limit

for 400GPa, using full electron

Xi

2016-01-18 21:26 GMT+08:00 Raj kamal <rajkamalloyola at gmail.com>:

>
> dear QE experts,
> can i use pressure upto 400Gpa in quantum espresso for VC ralaxation. is
> there any limitations using this pressure parameter.
> thanks in advance.
> --
> *Best regards,*
> *Rajkamal.A.*
> *Research Scholar,(SRM UNIV).*
>
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