[Wien] x optic error

Rajneesh Chaurasiya rajnano2012 at gmail.com
Thu Dec 15 07:50:32 CET 2016


Dear all,

I have initialize and also optimize the structure file of Cu2ZnSnS4 using
the 64k point and further we have computed the Density of states using
1000k point but when we are computing the optical properties then it give
the error like....

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          0000003ED421D994  Unknown               Unknown  Unknown
opticc             0000000000403289  Unknown               Unknown  Unknown

this error is occurs when i give the command x optic. in this calculation
we have used 12 core and 144 processor.

the procedure which i follow for optical properties is
x kgen
x lapw1
x lapw2 -fermi
x optic

-- 
Thanks & Regards
Rajneesh Chaurasiya
Research Scholar
IIT Jodhpur, India
Mob. No. +91-9584499697
              +91-7610950803
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