[Pw_forum] fix the position of a particular atom

[Nay Lin]

Dear PWscf users and developer,

I am computing the diffusion barrier in simple metal system.
Can I fix the position of a (set of) particular atom during relaxation?
which keyword are related to such input?

Thanks

regards
Nay Lin
Nanyang Technological University
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100107/859be2b5/attachment.htm