[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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