[Wien] Unable to obtain plasma frequency despite GAP =0.
Pranjal Nandi
pnandi at ub.edu
Tue May 7 18:29:13 CEST 2024
Dear Community,
Version 23.2
I am doing calculations with init_lapw prec 1 - sp and kgen 1000. In the SCF file I clearly see GAP = 0 (I have shared a part of scf below).
Hence, I expect to get a plasma frequency if I change the switch to 6 and run x joint.
However, I am not getting any plasma frequency. It would be helpful if you could please help.
I have increased the following.
In1c - K-VECTORS FROM UNIT:4 -9.0 15 161 emin / de (emax=Ef+de) / nband
Inop - -5.0 20.0 9999 Emin, Emax for matrix elements, NBvalMAX
Part of scf output.
:GAP (this spin): 0.200925 Ry = 2.734 eV (accurate value if proper k-mesh)
:GAP (global) : 0.0 Ry = 0.0 eV (metal)
:GAP (this spin): 0.0 Ry = 0.0 eV (metal)
Looking forward to your kind suggestions.
With warm regards,
Pranjal
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