Dear WIEN2k users and Dr. Tran,
Thank you so much for your kind help.
Now, all points I could not understand are clear.
Thank you so much, again.
Best Regards,
Toshiyuki Fukumoto
On 2016-05-19 18:52, t...@theochem.tuwien.ac.at wrote:
Whatever is the value of EMIN chosen in case.int, the core
ak.
Thank you for your help, again.
Best Regards,
Toshiyuki Fukumoto
On 2016-05-19 16:03, t...@theochem.tuwien.ac.at wrote:
The units are states/Ry. Note that to obtain the correct number of
valence electrons in case.outputt, it may eventually be necessary
to use a smaller value for EMIN i
ious email titled "[Wien] missing electrons"
(http://zeus.theochem.tuwien.ac.at/pipermail/wien/2004-August/003226.html),
is it overestimated in this case?
Or do I seem to misunderstand something ?
Thank you very much in advance for your kind answers.
Best Regards
,
NUMBER OF ELECTRONS UP TO EF : 50.0002
DOS in states/Ry/spin .
However, the unit of DOS was "States/eV"
for the plotted DOS in the "dosplot" tab of the w2w web.
Then, which unit is used for DOS calculation
in this non-spin polarized case, states/Ry/spin or states/Ry ?
Be
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