I wanted to compute the TOTAL DOS for a non-spin-orbit spin-polarized
calculation (FM and AFM)
(...)
I expected case.dos1evup and case.dos1evdn plots to look exactly the same
but they do not.
??? For a ferromagnetic calculation, the up and dn DOS must be
different. Otherwise, how could you
Dear users,
I wanted to compute the TOTAL DOS for a non-spin-orbit spin-polarized
calculation (FM and AFM)
so I did the following after scf convergence:
x lapw2 -up -qtl
x lapw2 -dn -qtl
Then I used the following case.int file
++
+
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