[Wien] [Wien2k Users] Changes in Case.inM file: forces/energies not consistent

[Ghosh SUDDHASATTWA]

My case.inM generated file looks like 

 

PORT 2.00 0.35 

0.0 0.0 1.0 1.0

0.0 0.0 1.0 1.0

0.0 0.0 1.0 1.0

 

I used the default commandline with fc 1.0 

After the force minimization, I got the message "forces/energies may be
inconsistent"

Even after changing the TOLF parameter to 0.50 and changing the commandline
to fc 0.10, I got 

the same message. 

Can any body tell me as to how we can change the inM file to get a
consistent set of 

atomic positions with minimized forces. 

I am looking at a system with Zr and an f-element U. 

 

Any suggestions would be of great help. 

 

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20100415/d479398e/attachment.htm>