[Wien] Imposiblililty to construct the plot
Konstantin Nefedev
nefedev at gate.sinica.edu.tw
Thu Jun 28 13:16:02 CEST 2007
Dear all,
I wish calculate properties 62-Pnma LaMnO3 (complex case, spin polarized
calculations, spin orbital included). I have use supercell 40 atoms and
k-mesh=1. SCF cycle has finished successfully. All error files are empty.
*.vectorsoup(dn) and *. vectorup(dn) also and help files have been in
the scratch directory and after scf I copied it into working directory.
But the attempt of the calculation any properties (such as the electron
density or dos for example) has not gave me anything. I have sow "cross"
insted plot, and there are no any messages about what happence.
What is possible reason for absence of plots?
Regards,
Konstantin
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