[Wien] Error in optic

[uchit chaudhary]

Dear experts,

I followed all the steps as suggested in the article:
https://doi.org/10.1016/j.cpc.2020.107648
Steps that I did:
1. init_lapw -b -vxc 13 -rkmax 7 -numk 500
2. run_lapw -ec 0.00001 -cc 0.0001
3. save_lapw -d noSOC
4. init_so lapw
5. run_lapw -ec 0.00001 -cc 0.0001 -so
6. created 3 input files are:
#case.in1c
WFFIL  EF=.33516062466211660370 Old .3350864623863498 0.3351977058  (WFFIL,
WFPRI, ENFIL, SUPWF)
 7.00     10   6   ELPA pxq BL 64 (R-MT*K-MAX,MAX L IN WF,V-NMT,LIB)
  0.30    4  0      (GLOBAL E-PARAMETER WITH n OTHER CHOICES, global
APW/LAPW)
 2    0.30     0.0000 CONT 1
 2   -1.09     0.0010 CONT 1
 0    0.30     0.0000 CONT 1
 1    0.30     0.0000 CONT 1
  0.30    5  0      (GLOBAL E-PARAMETER WITH n OTHER CHOICES, global
APW/LAPW)
 2    0.30     0.0000 CONT 1
 2   -2.65     0.0010 CONT 1
 0    0.30     0.0000 CONT 1
 0   -0.82     0.0010 CONT 1
 1    0.30     0.0000 CONT 1
K-VECTORS FROM UNIT:4   -9.0       5.0    30   emin / de (emax=Ef+de) / band
##############
case.inso
WFFIL
4  0  0                 llmax,ipr,kpot
-10  5.0                Emin, Emax
    0 0 1                           h,k,l (direction of magnetization)
 2                       number of atoms with RLO
1 0.30 0.0000 CONT             atom-number, E-param for RLO
2 0.30 0.0000 CONT             atom-number, E-param for RLO
0 0      number of atoms without SO, atomnumbers
###############3
case.inop
99999 1       number of k-points, first k-point
-5.0 5.0 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>

########################
created cae.klist_band for L-Gamma-X
Then:
x lapw1 -band
x lapwso
ln -s case.vsp case.vspup
ln -s case.vsp case.vspdn
ln -s case.vectorso case.vectorsoup
x optic -so -up (does not worked)
this is the error:
At line 53 of file atpar_op.f (unit = 18, file = 'test.vspup')
Fortran runtime error: End of file

Error termination. Backtrace:
#0  0x14fcee15cd11 in ???
#1  0x14fcee15d859 in ???
#2  0x14fcee15e53f in ???
#3  0x14fcee3a1c4b in ???
#4  0x14fcee3a226a in ???
#5  0x14fcee39ecd0 in ???
#6  0x14fcee3a35a4 in ???
#7  0x14fcee3a4a1b in ???
#8  0x55f39982bb70 in ???
#9  0x55f399846701 in ???
#10  0x55f399837225 in ???
#11  0x55f39982834e in ???
#12  0x14fceddd8082 in __libc_start_main
at ../csu/libc-start.c:308
#13  0x55f39982837d in ???
#14  0xffffffffffffffff in ???
0.114u 0.015s 0:00.13 92.3% 0+0k 0+64io 0pf+0w
error: command   /home/uchit/wien2k_23.1-installed/WIEN2k_23.1/opticc
upoptic.def   faile
 Is there any mistake in calculation?

Best regards,
Uchit Chaudhary
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