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 <[email protected]> wrote: > respected all > > whats the 'ibrav' value to be used for calcium titanate cubic > system ,space goup fm3m. > regards > P. Biswas > > -- > *Pranay Biswas* > *email- [email protected] <[email protected]>* > *mob- +918116780033* > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum >
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