[Wien] Volume optimization Calculation stopped at its very first cycle

[Lyudmila Dobysheva]

11.01.2017 11:33, shamik chakrabarti wrote:
>                             I am trying to run volume optimization (by
> keeping a:b:c = constant) for a cubic cell. However, at its very first
> cycle it shows an error;
> " error: command   /home/wien2k/Wien2k_5_7_2015/WIEN2k/lapw2 uplapw2.def
>    failed". I am sending the struct file herewith this mail.

You also have stopped at the very first stage: you should give much more 
information. All the data for reproducing the error, all the diagnostics 
which you should find in the calculation, maybe the info about your 
system, your fortran and so forth.

The struct file itself looks o'k.

Best wishes
   Lyudmila Dobysheva
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