Band structure and Dos calculations give different Fermi levels
Posted: Fri Dec 06, 2013 12:23 am
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>
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>