[WIEN] DOS question
Yam Chi Yung
yamcy at yangtze.hku.hk
Wed Nov 5 15:14:00 CET 2003
Dear all wien users,
I tried to calculate the electronic structure of KI. However, when I
integrate the density of states up to the Fermi level, I found that it
does not equal to the number of electrons. What was the problem? I also
got warnings in the SCF cycles:
:ENE : *WARNING** TOTAL ENERGY IN Ry = -60104.219684
The SCF converge successfully, is that normal?
Regards,
ChiYung, Yam
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