[Pw_forum] fix the position of a particular atom

Nay Lin naylin.nll at gmail.com
Fri Jan 8 10:55:34 CET 2010


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
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