[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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