For a fully relaxed geometry I use pre+calculated charge density (ICHARGE=11) and do the dos and BS calculations BUT
My Fermi level is different in all 3 calculations: SC,DOS and BS
The KPOINTS, ARE different.
Which one is the most correct?
<span class='smallblacktext'>[ Edited ]</span>
Band structure and Dos calculations give different Fermi levels
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hosfa
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Band structure and Dos calculations give different Fermi levels
Last edited by hosfa on Fri Dec 06, 2013 12:23 am, edited 1 time in total.
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admin
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Band structure and Dos calculations give different Fermi levels
the one which includes the k-point with the VMB
Last edited by admin on Fri Dec 06, 2013 3:42 pm, edited 1 time in total.