[Pw_forum] Vc-relax error with option cell_dofree
mayank gupta
mayankaditya at gmail.com
Mon Jul 11 10:11:34 CEST 2011
Dear all
I have relaxed body centered tetragonal system using ‘vc-relax’ method
with option cell_dofree='xz' as well as 'xyz', but i got error message
"check all symmetry error” after calculating the forces and position
in first cycle.
--
Mayank
BHABHA ATOMIC RESEARCH CENTER
MUMBAI, INDIA
Office: 022-25595606
Home: 9920397437 / 9869834437
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