[Wien] DFT of a normal spinel

[shamik chakrabarti]

Dear wien2k users,

          We are trying to do DFT simulation on a spinel ferrite (normal
spinel) having Fe atom distributed over all the octahedral sites (16d).
However, during initialization we have achieved the following error

 forrtl: severe (24): end-of-file during read, unit 81, file
/home/venkatesh/Shamik_New/case_V/case_V.rsp
Image              PC                Routine            Line        Source

dstart             00000000004B463A  Unknown               Unknown  Unknown
dstart             00000000004B3136  Unknown               Unknown  Unknown
dstart             0000000000469E40  Unknown               Unknown  Unknown
dstart             000000000043679E  Unknown               Unknown  Unknown
dstart             0000000000435CDF  Unknown               Unknown  Unknown
dstart             00000000004482C1  Unknown               Unknown  Unknown
dstart             000000000040FD24  init_                     103  init.f
dstart             000000000040EA41  MAIN__                      9  dstart.f
dstart             00000000004032CC  Unknown               Unknown  Unknown
libc.so.6          0000003D66C1ECDD  Unknown               Unknown  Unknown
dstart             00000000004031C9  Unknown               Unknown  Unknown
0.002u 0.000s 0:00.00 0.0% 0+0k 0+16io 0pf+0w
error: command   /usr/local/WIEN2K_12/dstart dstart.def   failed

what could be the problem?...is it related to wrong structural information?

Thanks in advance.

with regards,

-- 
Shamik Chakrabarti
Senior Research Fellow
Dept. of Physics & Meteorology
Material Processing & Solid State Ionics Lab
IIT Kharagpur
Kharagpur 721302
INDIA
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