[Wien] Issue regarding default iteration (40) in scf calculation during mbj calculation

Indranil mal indranil.mal at gmail.com
Thu May 30 20:49:34 CEST 2019


Dear users and respected sir,
                      I am trying to calculate band structure of TiC basic
unit cell system using mbj potential with a pc with serial compilation.
However, every time the SCF iteration stops at 40 cycle then I am compiling
"run_lapw    -NI  -i120" still in the next step it stops after 4o
iterations.

Please help


Thanking you

Indranil
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