[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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