On Tue, Jun 18, 2019 at 7:18 AM Soumyadeep <[email protected]> wrote:
Please note, "press" flag in "vc-relax" calculation not worked for me. > Relaxed and unrelaxed structure gave same band structure. Hence there is > no effect of pressure. > is the final pressure equal to the value specified in "press"? if so, it works Paolo > > with best regards > Soumyadeep > ------------------------------------------------------------------- > Soumyadeep Ghosh, > Senior Research Fellow, > Indus Synchrotrons Utilization Division, > Raja Ramanna Centre for Advanced Technology, Indore, India-452013 > Mob: (+91)9424664553 > User Lab: 0731244-2580 > Email: [email protected], [email protected] > ------------------------------------------------------------------- > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) > users mailing list [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users > -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
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