WARNING: Sub-Space-Matrix is not hermitian in DAV
Posted: Mon Nov 24, 2008 12:18 pm
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>
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>