Thanks Hai-Ping! -Manoj
On Thu, 24 Sep 2009, lan haiping wrote: > Hi, Please check INPUT_PW document, you will find below description: > if_pos(1), if_pos(2), if_pos(3) INTEGER *Default:* 1 > > component i of the force for this atom is multiplied by if_pos(i), > which must be either 0 or 1. Used to keep selected atoms and/or > selected components fixed in meta-dynamics, neb, smd, MD dynamics or > structural optimization run. > > If you want to fix some atom or some direction , just set if_pos(i) =0 . > > Regards, > > Hai-Ping > > On Thu, Sep 24, 2009 at 5:50 AM, Manoj Srivastava <manoj at > phys.ufl.edu>wrote: > > > Dear PWSCF users, > > This might have been answered previously, but I was unable to find > > it. How can one relax only z coordinate of atoms inside unit cell using > > PW? In other words how can I constrain x and y coordinates of atoms during > > relaxation? > > > > > > Regards, > > Manoj Srivastava > > University of Florida > > Gainesville, FL > > > > _______________________________________________ > > Pw_forum mailing list > > Pw_forum at pwscf.org > > http://www.democritos.it/mailman/listinfo/pw_forum > > > > > > -- > Hai-Ping Lan > Department of Electronics , > Peking University , Bejing, 100871 > lanhaiping at gmail.com, hplan at pku.edu.cn >