[Pw_forum] band structure calculatin,ibrave value problem.
pranayinform at gmail.com
Mon Jul 4 10:03:37 CEST 2016
I am trying to perform band structure calculation of pervoskite material
'Calcium Titanate'.I tried with different pseudopotential also. but result
not matching with reported graph (fully different type, I got). I used the
SYSTEM Part of input file as -
Is the system parameters are right,specially IBRAV value? what should be
the right input?
*email- pranayinform at gmail.com <pranayinform at gmail.com>*
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