[Pw_forum] Volume collapses when using vc-relax

Mutlu COLAKOGULLARI mutlucolakogullari at trakya.edu.tr
Tue Jul 1 23:05:40 CEST 2014


Dear Michael Ruggiero,

If you are facing problems during preparation of an input from CIF file, 
you can use gdis code (http://gdis.sourceforge.net/ ; version 0.99). 
Open CIF file with gdis and then save as 'filename.pwi'. The code 
understand the extension 'pwi' and prepare a simple input file for 
Quantum ESPRESSO. You can also use this code to prepare simple inputs 
for many different ab-initio codes.

I hope it helps.

     Mutlu.
-- 
PhD. Mutlu COLAKOGULLARI
Trakya Universitesi
Fen Fakultesi
Fizik Bolumu



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