[Pw_forum] ISSUES WITH BANDS CALCULATION

omamuyovwiakemu at yahoo.com omamuyovwiakemu at yahoo.com
Mon Jan 18 13:28:00 CET 2016


I really appreciate your prompt reply Sir.

The alloy actually displays half-metallic properties.
I did not indicate nbnd in the 'scf' calculation but it was indicated in the 'nscf' calculation.

Rita.
University of Benin

Sent from Yahoo Mail on Android

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