[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
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Prof Nicola Marzari   Department of Materials Science and Engineering
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