[Pw_forum] how to perform a constraint calculation?

于海林 yuhailin_79 at 126.com
Wed Jan 7 12:07:03 CET 2015


Dear all
I want to perform a constraint calculation for hexagonal GaN. The a and b lattice constants are constrainted, and the c lattice constant , cell volume and atomic accordinate are relaxed.
But I don't know how to set the [CONSTRAINTS] card. I wish to get your help. Thanks in advance!


Best Regards!
Yu Hailin 
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