> Von: Wien [wien-boun...@zeus.theochem.tuwien.ac.at] im Auftrag von shamik
> chakrabarti [shamik...@gmail.com]
> Gesendet: Mittwoch, 11. Januar 2017 08:33
> An: A Mailing list for WIEN2k users
> Betreff: [Wien] Volume optimization Calc
shamik
chakrabarti [shamik...@gmail.com]
Gesendet: Mittwoch, 11. Januar 2017 08:33
An: A Mailing list for WIEN2k users
Betreff: [Wien] Volume optimization Calculation stopped at its very first cycle
Dear wien2k users,
I am trying to run volume optimization (by keeping
a:b
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
Dear wien2k users,
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 he
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