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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