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
_______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html