[Wien] opticcpara crashed for mstar

[Dr. K. C. Bhamu]

Dear Prof. Oleg

I am trying to run mstar code to calculate effective mass for a tetragonal
system with SOC.
I am using Wien2k_19.2 compiled with mkl+ifort on a cluster.

To calculate the mstar, I am using a script given for Si(SOC).

All steps went fine but optic code has crashed.
Below is the error report:

A. Output when I run optic using a job file:
**  OPTIC crashed!
0.141u 0.434s 0:05.06 11.2% 0+0k 3560+1384io 4pf+0w
error: command   /home/kcbhamu/soft/w2k192/opticcpara -up -c -so
upoptic.def   failed
 Detected input arguments = 2
 Input mommat file = pbe.mommat2up
 Degeneracy tolerance dEtol = 1e-5 [Ha]
 Confirming text-to-number conversion dEtol =  1.00000E-05 [Ha]
 The input file pbe.mommat2up does not exist. Exiting

B. Output when I run opticon terminal:
[kcbhamu at elpidos pbe]$ x optic -so -up
 emin,emax,nbvalmax  -5.00000000000000        7.00000000000000
 9999
forrtl: severe (24): end-of-file during read, unit 10, file
/home/kcbhamu/work/mstar/hossan/automa/pbe/./pbe.vectorsoup
Image              PC                Routine            Line        Source
opticc             000000000046CD5B  Unknown               Unknown  Unknown
opticc             000000000048A259  Unknown               Unknown  Unknown
opticc             000000000042F60C  mom_mat_                  200
sph-UP_tmp.f
opticc             000000000041F94B  MAIN__                    469  opmain.f
opticc             00000000004047A2  Unknown               Unknown  Unknown
libc-2.17.so<http://libc-2.17.so>       00002AF1E6804555
__libc_start_main     Unknown  Unknown
opticc             00000000004046A9  Unknown               Unknown  Unknown
0.000u 0.002s 0:00.00 0.0% 0+0k 408+64io 2pf+0w
error: command   /home/kcbhamu/soft/w2k192/opticc upoptic.def   failed


Here is my case.inop file
99999 1       number of k-points, first k-point
-5.0 7.0 9999 Emin, Emax for matrix elements, NBvalMAX
2             number of choices (columns in *outmat): 2: hex or tetrag. case
1             Re xx
3             Re zz
ON           ON/OFF   writes MME to unit 4

Choices:
1......Re <x><x>
2......Re <y><y>
3......Re <z><z>
4......Re <x><y>
5......Re <x><z>
6......Re <y><z>
7......Im <x><y>
8......Im <x><z>
9......Im <y><z>

Could you please advise me how I can get rid of this error?


Please let me know if I need to provide any additional information in
support of my query.


Regards
Bhamu
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