On Fri, Nov 9, 2018 at 12:43 PM <[email protected]> wrote:
> I note some commands are not in input file description at: > > https://www.quantum-espresso.org/Doc/INPUT_PW.html#__top__ this is the input for pw.x. For cp.x you should look here: https://www.quantum-espresso.org/Doc/INPUT_CP.html There is a large overlap between the two but also some differences Paoo > > > For example: > > ion_damping = 0.2, > ion_dynamics = 'none' > > > Which is website page out-dated? > > About my issue. My system has little atoms with forces components > around 0.005 a.u when I relaxed using "damp" or "bfgs" dynamics. I > would like no atom has forces greater than 0.002. Does anyone have a > suggestion for get lower forces? > > With best regards, > > Pedro Moreira > Assistant Professor > UFSCar, Brazil > > _______________________________________________ > 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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