Hi!
I have performed several MD runs, but unfortunately, the ISYM-flag was not set, i.e. the default ISYM=2 was used. Now, I wonder if this has affected my PT melting curves? I mean, if the symmetry is there, will it be harder to melt, i.e. is more temperature needed?
Regards,
L.K.
Molecular Dynamics and ISYM
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LK
Molecular Dynamics and ISYM
Last edited by LK on Wed Nov 07, 2007 3:14 pm, edited 1 time in total.
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support_vasp
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Re: Molecular Dynamics and ISYM
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