[Wien] Problem in optical properties

[tran at theochem.tuwien.ac.at]

Just to mention that the calculation of orbitals on a new k-mesh
with the HF/hybrid method has to be done by running one iteration with 
the option -newklist.

FT

On Monday 2019-09-23 06:12, Peeyush kumar kamlesh wrote:

>Date: Mon, 23 Sep 2019 06:12:28
>From: Peeyush kumar kamlesh <peeyush.physik.rku at gmail.com>
>Reply-To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
>To: wien at zeus.theochem.tuwien.ac.at, wien-request at zeus.theochem.tuwien.ac.at
>Subject: [Wien] Problem in optical properties
>
>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
>
>
>