[Wien] about the optical calculation

Yushan Wang wys at UDel.Edu
Tue Aug 5 18:48:06 CEST 2003


Dear users,
while I was conducting the optical calculation for TiO2 without inversion
symmetry and spin-orbit coupling, I failed enen though I followed the
instruction in P 123 of the wien2k manual book.
 there is no such files case. vectorso and case.vectorsoup after SCF run.
so the following step can not proceed. it seem that there are some errors
in the manual book. who know how to deal with it?

yushan




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