[Wien] Lapw2_1.def ERROR

[Lyudmila Dobysheva]

02.12.2019 13:13, Ashwani Kumar wrote:
>     i want to calculate EFG for a oxalate compound. During structure 
> relaxation calculation (min_lapw), lapw2 failed after 32 iterations. 
> Error file is attached with the mail.

You have attached not error file but def-file which is useless. When 
sending, look at all other error files, and check warnings.

> Calculation steps:
> 1. Charge and energy convergence -successfully terminated
> 2. Force convergence (run_lapw -p -fc 5.0) -successfully terminated
> 3. min_lapw (PORT, tolf=1.0) , calculation crashed after 32 iterations.

Best wishes
Lyudmila Dobysheva
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