Hi,
In Band structure calculation (ICHARGE=11) for a fully relaxed geometry, I find rather big forces in the OUTCAR file produced by the band structure run!
why?
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PBE, KPOINTS converged, I use the relaxed geometry for band structure!
Total Force in band structure calculation OUTCAR
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hosfa
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Total Force in band structure calculation OUTCAR
Last edited by hosfa on Mon May 27, 2013 1:07 pm, edited 1 time in total.
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support_vasp
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Re: Total Force in band structure calculation OUTCAR
Hi,
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