[Wien] Optic error

[GOUTAM KUMAR GUPTA]

Dear all

I am trying to simulate Cu2ZnSnS4 structure. I have done the initialization
and scf run. Now in property calculation i calculated the DOS. However
during optical property calculation i am getting error of "Cannot allocate
array - overflow on array size calculation".
I have used K points equal to 1000 for optic calculation. I also have tried
with lower no of k points i.e 8, 64 etc. but the problem remained same.
What i am observing is that Kmin, Kmax in the error is showing 1310722.
which i think is not reasonable.

For optic calculation i have done

x kgen
x lapw1
x lapw2 -fermi
x optic

after this i am getting this problem

[ambeshst at IITJ_HPC kczgs]$ x optic
 emin,emax,nbvalmax  -5.00000000000000        3.00000000000000
9999
 creating ust
 kmin,kmax    -1310722    -1310722    -1310722     1310722     1310722
     1310722
forrtl: severe (179): Cannot allocate array - overflow on array size
calculation.
Image              PC                Routine            Line
Source
opticc             00000000004E123A  Unknown               Unknown  Unknown
opticc             00000000004DFDB5  Unknown               Unknown  Unknown
opticc             0000000000491D26  Unknown               Unknown  Unknown
opticc             0000000000457215  Unknown               Unknown  Unknown
opticc             000000000047AA3A  Unknown               Unknown  Unknown
opticc             000000000042617A  planew_                    86
planew_tmp.f
opticc             00000000004380FC  mom_mat_                  588
sph-UP_tmp.f
opticc             000000000042064D  MAIN__                    453  opmain.f
opticc             000000000040337C  Unknown               Unknown  Unknown
libc.so.6          000000344221D9C4  Unknown               Unknown  Unknown
opticc             0000000000403289  Unknown               Unknown  Unknown
27.105u 0.040s 0:28.25 96.0%    0+0k 0+0io 17pf+0w
error: command   /home/IITJHOME/ambeshst/win2k13mpi/opticc optic.def
failed

I have checked the memory issue but it should not be the case since i am
simulating the structure on HPC which has very high memory.


Thanks
-- 
*Goutam Kumar Gupta*
*Mob:8561995547*
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