[Pw_forum] Bug in ph.x sometimes occur in hexagonal phases
Uri Argaman
argamanu at post.bgu.ac.il
Thu Aug 27 10:35:27 CEST 2015
Thank you Andrea
I change the atomic position to:
ATOMIC_POSITIONS (crystal)
Zr 0.66666666666666 0.33333333333333 0.25000000000000 0 0 0
Zr 0.33333333333333 0.66666666666666 0.75000000000000
And it does not fix the problem. dyn0 still contain 13 dynamical matrices.
Uri Argaman
Ben-Gurion University
Israel
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