[Wien] Optimization of volumen + TB-MBJ potential.

[Jose Alfredo Camargo Martinez]

I have a difficulty to perform the optimization of volumen in the silicon (also 
on Ge) using the TB-MBJ potential.

I run Optimize.job, but in one of the cycles get stuck in lapw0!

Can you help with this, any ideas?

PDTA: There appears no error, just stagnate in one cycle

 José A. Camargo Martínez
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110525/2f5a75a6/attachment.htm>