Hello everyone,
I know there are many threads on this problem, but nothing fits for me to my problem. I relaxed a structure without spin polarization. The band structure for the non-spin-polarized calculation and a calculation where I assume ferromagnetism everything works out just fine. Unfortunately when I insert a symmetry break and allow spin up as well as spin-down the above message appears.
My question:
Does anyone have a clue, where the problem comes from?
Thank you very much for your ideas.
Borninger
<span class='smallblacktext'>[ Edited ]</span>
WARNING: Sub-Space-Matrix is not hermitian in DAV
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WARNING: Sub-Space-Matrix is not hermitian in DAV
Last edited by Borninger on Mon Nov 24, 2008 12:18 pm, edited 1 time in total.
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WARNING: Sub-Space-Matrix is not hermitian in DAV
have you tried to start from a WAVECAR file? maybe this is the reason of the problem (the #of k-points will have changed upon symmetry reduction).
Last edited by admin on Wed Nov 26, 2008 9:56 am, edited 1 time in total.