[Wien] Optic and local orbital

[ali hamidani]

Dear Wien users,



I'm trying to calculate the optical properties with spin polarization
and with introducing the local orbital. The run has just finished
without any problems for all the steps but the output case.mat_diag
has NaN column values for all energies. I was changed the emin and
emax energies and also APW+lo to LAPW+lo but this problem not
dissipate, Knowing that the run without spin orbit work well.

We are using:

P4 with 2Gb RAM and 3.4 GHz processor

OS: fedora 5 and debian 5

the fortran Compilers: Intel 9 (wien2k v8) Intel 11 (wien2k v9.2)



A. Hamidani

Physics Laboratory at Guelma

Faculty of Sciences and Engineering

University of Guelma, P.O. Box 401, Guelma 24000, Algeria
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