Dear wien2k users, We have understood the source of error & trying to eliminate that.
Thanking you, regards, On Wed, Mar 4, 2015 at 2:06 AM, shamik chakrabarti <shamik...@gmail.com> wrote: > 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 > -- Shamik Chakrabarti Senior Research Fellow Dept. of Physics & Meteorology Material Processing & Solid State Ionics Lab IIT Kharagpur Kharagpur 721302 INDIA
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