Dear Giuseppe Mattioli, Dear Arles V. Gil Rebaza, Thank you very much!
Best Rgards! Yu Hailin College of Physics & Electronic Enginerring, Changshu Institute of Technology China 在 2015-01-07 19:48:35，"Giuseppe Mattioli" <[email protected]> 写道： > >Dear Yu Hailin >Please remember always to sign your posts also with your scientific >affiliation. >Look for the cell_dofree variable in the pw.x manual. A vc-relax >calculation with cell_dofree='z' should accomplish the task. >HTH >Giuseppe > >Giuseppe Mattioli >ISM-CNR >Italy > >Quoting 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 > > >-- >******************************************************** >- Article premier - Les hommes naissent et demeurent >libres et ègaux en droits. Les distinctions sociales >ne peuvent être fondèes que sur l'utilitè commune >- Article 2 - Le but de toute association politique >est la conservation des droits naturels et >imprescriptibles de l'homme. Ces droits sont la libertè, >la propriètè, la sùretè et la rèsistance à l'oppression. >******************************************************** > > Giuseppe Mattioli > CNR - ISTITUTO DI STRUTTURA DELLA MATERIA > v. Salaria Km 29,300 - C.P. 10 > I 00015 - Monterotondo Stazione (RM) > Tel + 39 06 90672836 - Fax +39 06 90672316 > E-mail: <[email protected]> > >_______________________________________________ >Pw_forum mailing list >[email protected] >http://pwscf.org/mailman/listinfo/pw_forum
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