?the forces are in <>.scf, so you can look at the end of that file or
grepline :for <>.scf 10 where <>.scf => real name of scf 10 => # of lines you want to see. "grepline" lists the last '#' lines of the "<>.scf?" file that have ':for' or :FOR', so you will see the results of the last iteration, but posibly of earlier iterations as well. the numbers you will see are not '0' but small ~ 1-5, 5 is fair, 1 is good. ________________________________ De: [email protected] <[email protected]> en nombre de Mona Rahimian <[email protected]> Enviado: sábado, 08 de noviembre de 2014 01:49 a.m. Para: A Mailing list for WIEN2k users Asunto: Re: [Wien] relaxation (was:_nb in dscgst.F 256 128) hi how can I sure, force in my supercell is 0 and it is relax? thanks -- Mona Rahimian MSc Student Physics Department, College of Sciences Shiraz University, Shiraz, Iran E-mail address:[email protected] ________________________________ From: ?Stefaan Cottenier? ?<[email protected]>? To: ?A Mailing list for WIEN2k users? ?<[email protected]>? Sent: Wednesday, 29 October 2014, 0:12:46 Subject: Re: [Wien] relaxation (was:_nb in dscgst.F 256 128) > I want to start relax calculation for my supercell. > I dont know what should I do? > help me. step 1: read the usersguide (search for the keywords 'relax' or 'optim') step 2: study Peter's wien2k workshop slides at http://www.wien2k.at/reg_user/textbooks/WIEN2k_lecture-notes_2013/ , in particular http://www.wien2k.at/reg_user/textbooks/WIEN2k_lecture-notes_2013/WIEN2k-getting_started.pdf : this one contains information about a.o. relaxation http://www.wien2k.at/reg_user/textbooks/WIEN2k_lecture-notes_2013/Exercises_13.pdf : this one contains exercises about a.o. relaxation After having done this, most likely your question will have been solved. Stefaan _______________________________________________ Wien mailing list [email protected]<mailto:[email protected]> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/[email protected]/index.html
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