[Pw_forum] system parameter problem

[Dae Kwang Jun]

Dear Pranay Biswas,

A quick look at wikipedia shows that the Fm3m is a face centered space
group.
https://en.wikipedia.org/wiki/Cubic_crystal_system
Hence it would be ibrav =2 as shown in the pw.x input documentation.
http://www.quantum-espresso.org/wp-content/uploads/Doc/INPUT_PW.html


On Tue, Jul 5, 2016 at 4:10 PM, pranay biswas <pranayinform at gmail.com>
wrote:

> respected all
>
>           whats the 'ibrav' value to be used for calcium titanate cubic
> system ,space goup fm3m.
> regards
> P. Biswas
>
> --
> *Pranay Biswas*
> *email- pranayinform at gmail.com <pranayinform at gmail.com>*
> *mob- +918116780033*
>
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