[Pw_forum] constraint vc-relax

[Mohammad Saghayezhian]

Dear All,
I want to relax the lattice parameters of a orthorhombic lattice, but one of
parameters should be hold fixed and the remaining 2 are free to relax.
how can i perform this task in PWscf?

Any help would be appreciated.

Regards.


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Mohammad Saghayezhian
Computational Condensed Matter Research Lab
Physics Department, Isfahan University of Technology, Isfahan, Iran

Tel lab: +98 311 391 3731     Fax Office: +98311 391 3746
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