[Wien] Problem in optical properties

[Peter Blaha]

I guess your $SCRATCH variable is set wrongly to "/" instead of "./" ?

Check your optic.def and also optic_1.def

On 9/23/19 6:12 AM, Peeyush kumar kamlesh wrote:
> Sir,
> Greetings!
> I am trying to calculate optical properties of a semiconducting material 
> with hf potentials. After running scf cycles by hf potential, I 
> generated a new k-mesh with the given procedure in user guide. Then I 
> run "x lapw2 -fermi -hf -p" in the terminal. Which was followed by 
> editing .inop file. Then I am trying to run "x optic -c -hf -p". And 
> encountered by following errors:
> 
> ________________________________________________________
> 
>   x optic -c -hf -p
> 
> running OPTIC in parallel mode
> 
> [1] 10649
> 
> [2] 10654
> 
> [3] 10659
> 
> [4] 10664
> 
> OPTIC END
> 
> OPTIC END
> 
> OPTIC END
> 
> OPTIC END
> 
> [4] Done ( cd $PWD; $t $exe ${def}_${loop}.def; rm -f 
> .lock_$lockfile[$p] ) >> ...
> 
> [3] - Done ( cd $PWD; $t $exe ${def}_${loop}.def; rm -f 
> .lock_$lockfile[$p] ) >> ...
> 
> [2] + Done ( cd $PWD; $t $exe ${def}_${loop}.def; rm -f 
> .lock_$lockfile[$p] ) >> ...
> 
> [1] + Done ( cd $PWD; $t $exe ${def}_${loop}.def; rm -f 
> .lock_$lockfile[$p] ) >> ...
> 
> Summary of opticpara:
> 
> localhost user=0 wallclock=40716
> 
> touch: cannot touch '/Case.symmat': Permission denied
> 
> touch: cannot touch '/Case.mommat2': Permission denied
> 
> touch: cannot touch '/Case.mat_diag': Permission denied
> 
> touch: cannot touch '/Case.mme': Permission denied
> 
> /Case.symmat: Permission denied.
> 
> /Case.symma1: Permission denied.
> 
> /Case.symma2: Permission denied.
> 
> /Case.mat_diag: Permission denied.
> 
> /Case.mme: Permission denied.
> 
> rm: cannot remove '/Case.symmat_1': No such file or directory
> 
> rm: cannot remove '/Case.mat_diag_1': No such file or directory
> 
> rm: cannot remove '/Case.mme_1': No such file or directory
> 
> /Case.symmat: Permission denied.
> 
> /Case.symma1: Permission denied.
> 
> /Case.symma2: Permission denied.
> 
> /Case.mat_diag: Permission denied.
> 
> /Case.mme: Permission denied.
> 
> rm: cannot remove '/Case.symmat_2': No such file or directory
> 
> rm: cannot remove '/Case.mat_diag_2': No such file or directory
> 
> rm: cannot remove '/Case.mme_2': No such file or directory
> 
> /Case.symmat: Permission denied.
> 
> /Case.symma1: Permission denied.
> 
> /Case.symma2: Permission denied.
> 
> /Case.mat_diag: Permission denied.
> 
> /Case.mme: Permission denied.
> 
> rm: cannot remove '/Case.symmat_3': No such file or directory
> 
> rm: cannot remove '/Case.mat_diag_3': No such file or directory
> 
> rm: cannot remove '/Case.mme_3': No such file or directory
> 
> /Case.symmat: Permission denied.
> 
> /Case.symma1: Permission denied.
> 
> /Case.symma2: Permission denied.
> 
> /Case.mat_diag: Permission denied.
> 
> /Case.mme: Permission denied.
> 
> rm: cannot remove '/Case.symmat_4': No such file or directory
> 
> rm: cannot remove '/Case.mat_diag_4': No such file or directory
> 
> rm: cannot remove '/Case.mme_4': No such file or directory
> 
> 17.9u 0.1s 0:05.51 329.2% 0+0k 0+5912io 0pf+0w
> 
> __________________________________________________________
> 
> 
> 
> Kindly suggest me how can I resolve this issue.
> 
> Thank You!
> 
> 
> Regards
> 
> Peeyush Kumar Kamlesh
> 
> 
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> 

-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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