[Thermo_pw-forum] Symmetry

[Francisco Wellery Nunes Silva]

Dear Thermo_pw Users,

I figured out that when I'm dealing with crystals with D3d or D3h the
atomic position relaxation does not converge. It is like the system is
always trapped in a local minima. However, when the symmetry is ignored the
positions converge so easily. It just happened for the two groups until
now. Has someone seen something like that ? Would share any clue to
overcome this ?

Best wishes,
Wellery.
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