Dear Yu Hailin, try to use "vc-relax" calculation with the tag "cell_dofree = z"
Best Arles V. Gil Rebaza Instituto de Física La Plata Argentina 2015-01-07 8:07 GMT-03:00 于海林 <[email protected]>: > 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 > > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum > -- ###---------> Arles V. <---------###
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