[Pw_forum] relaxation

Nicola Marzari marzari at MIT.EDU
Sat May 24 22:24:30 CEST 2008


> 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



More information about the users mailing list