Dear Blaha Sir,
As My optic.def file as follows:
4, 'case.mommat2' , 'UNKNOWN', 'FORMATTED', 0
5, 'case.inop' , 'OLD', 'FORMATTED', 0
6, 'case.outputop' , 'UNKNOWN', 'FORMATTED', 0
3, 'case.symmat' , 'UNKNOWN', 'FORMATTED', 0
13, 'case.symma1' , 'UNKNOWN', 'FORMATTED', 0
14, 'case.symma2' , 'UNKNOWN', 'FORMATTED', 0
9, 'case.mat_diag' , 'UNKNOWN', 'FORMATTED', 0
10,'case.vectorhf' , 'OLD', 'UNFORMATTED', 0
11,'case.vectorhfdn' , 'UNKNOWN' , 'UNFORMATTED' ,0
18,'case.vsp' , 'OLD', 'FORMATTED', 0
19,'case.vspdn' , 'UNKNOWN' , 'FORMATTED', 0
20,'case.struct' , 'OLD', 'FORMATTED', 0
28,'case.inso' , 'UNKNOWN', 'FORMATTED' , 0
24,'case.mme' , 'UNKNOWN', 'FORMATTED', 0
25,'case.symop' , 'UNKNOWN', 'FORMATTED', 0
30,'case.inc', 'UNKNOWN', 'formatted',0
35,'case.corewf', 'UNKNOWN','formatted',0
36,'case.corewfdn', 'UNKNOWN','formatted',0
40,'case.pmat', 'UNKNOWN', 'FORMATTED', 0
So how can I correct it?
Regards
Peeyush Kumar Kamlesh
On Mon, Sep 23, 2019 at 9:42 AM Peeyush kumar kamlesh
<peeyush.physik....@gmail.com <mailto:peeyush.physik....@gmail.com>>
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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