[Wien] regarding to generate struct file of CH3NH3PbI3

Gavin Abo gsabo at crimson.ua.edu
Mon Sep 4 15:13:02 CEST 2017


Have you tried


cif2struct CH3NH3PbI3_cubic.cif


on a cif file for it?  For example, the CH3NH3PbI3_cubic.cif at:


https://github.com/WMD-group/hybrid-perovskites/tree/master/2015_ch3nh3pbi3_phonons_PBEsol


On 9/4/2017 3:02 AM, AJAY SINGH VERMA wrote:
>
> Dear Sir,
>
> I have facing some problem to generate strcut file of CH3NH3PbI3 
> for cubic structure. Sir please guide me and help to generate struct 
> file.
>
> thanks
>
> with regards
>
> ajay singh verma
>
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