[Wien] Fwd: case.insp for -sp case
fatima DFT
fatimadft5 at gmail.com
Wed Jan 3 11:11:14 CET 2018
Dear Users,
I have a small doubt about the creation of case.insp.
on the terminal, I am getting below three :FER
test.scf::FER : F E R M I - ENERGY(TETRAH.M.)= 0.3350273603
test.scf2dn::FER : F E R M I - ENERGY(TETRAH.M.)= 0.3350273603
test.scf2up::FER : F E R M I - ENERGY = 0.3352399683
Should I make two case.insp for -up and -dn case as fermi for both is not
same???
or I simply take :FER given in first row: 0.3350273603 for both cases??
Thanks and regards
Fatima
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