What I see is
run -i120
if this is the case, there is a space missing, it should be
run -i 120
-------- Mensaje original --------
De: Indranil mal <indranil....@gmail.com>
Fecha: 30/5/19 1:49 PM (GMT-06:00)
A: A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at>
Asunto: [Wien] Issue regarding default iteration (40) in scf calculation during
mbj calculation
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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