[Wien] Forces not conserved

[shamik chakrabarti]

Dear wien2k users,

               I was running force optimization of a spinel compound.
Initially with PORT option in case.inM I received forces not conserved due
to inconsistent energies. Later I take the same structure and run the
simulation with NEWT option in case.inM. But this time also I received
"forces not conserved" after 40th cycle and the simulation get stopped
without going to the new structure.

I am attaching the structure below.

Any response in this regard will be helpful for us.

regards,

-- 
Dr. Shamik Chakrabarti
Research Associate
Electroceramics Lab
Dept. of Metallurgical & Materials Engineering
IIT Kharagpur
Kharagpur 721302
INDIA
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