Dear WIEN2k users,
I would like to ask a question about the DOS calculations with WEIN2k.
I calculated the DOS of TiC following the user guide and
ascertained that the behavior of DOS corresponded with that in the user
Also, I tried to check wether or not the integral of DOS is correct.
While the number of electrons in TiC per unit cell is 14
however, the integral of DOS in "case.outputt" shown below is 16,
NUMBER OF ELECTRONS UP TO EF : 16.0002 .
Although, it is said that the number of electrons can be underestimated
in previous email titled "[Wien] missing electrons"
is it overestimated in this case?
Or do I seem to misunderstand something ?
Thank you very much in advance for your kind answers.
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