What Ali probably wants to do is ti fix one _interlayer distance_, don't you, Ali?
Ali: to elaborate a bit more on Nicola's reply - the position of any individual atom does not matter because of translational invariance (or homogeneity of space, if you prefer). This is what you meant, Nicola, didn't you? Stefano On May 24, 2008, at 10:24 PM, Nicola Marzari wrote: > >> ali kazempoor wrote: >>> Dear All >>> for relaxation a surface, i want to fix positions of >>> one layer . could you help me how can i do that? > > > Also - does it really help fixing one layer, when all others can > move ? > (It can, but in fairly exotic circumstances or reasons) > > nicola > -- > --------------------------------------------------------------------- > Prof Nicola Marzari Department of Materials Science and Engineering > 13-5066 MIT 77 Massachusetts Avenue Cambridge MA 02139-4307 USA > tel 617.4522758 fax 2586534 marzari at mit.edu http://quasiamore.mit.edu > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum --- Stefano Baroni - SISSA & DEMOCRITOS National Simulation Center - Trieste http://www.sissa.it/~baroni / [+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni (skype) La morale est une logique de l'action comme la logique est une morale de la pens?e - Jean Piaget Please, if possible, don't send me MS Word or PowerPoint attachments Why? See: http://www.gnu.org/philosophy/no-word-attachments.html -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20080525/82590e08/attachment.htm
