[Wien] Error in running volume optimization

[tran at theochem.tuwien.ac.at]

Probably because of a spheres' overlap for small volumes. You have to
use smaller RMTs. Without providing more details we can not be sure it's
the problem.

F. Tran

On Tue, 15 Mar 2016, shamik chakrabarti wrote:

> Dear wien2k users,
>                     While running a simulation of a heusler alloy CoFeTiGe,
> the GGA calculation was completed successfully. However, while the same
> structure file was fed to volume optimization error appears.
> 
> The struct file are also sent as attached file herewith this mail,
> 
> Any response in this regard will be helpful for us. Thanks in advance.
> 
> with regards, 
> [cleardot.gif]
> 
> --
> Dr. Shamik Chakrabarti
> Research Associate
> Electroceramics Lab
> Dept. of Metallurgical & Materials Engineering
> IIT Kharagpur
> Kharagpur 721302
> INDIA
> 
>