[Wien] error while calculating DOS
venkatesh chandragiri
venkyphysicsiitm at gmail.com
Sat May 3 12:42:30 CEST 2014
Dear Wien2k users and Prof. Blaha,
For my given structure, i had run the SCF calculation which was converged.
Later, the calculations are saved using "save_lapw" and then tried to do
DOS calculations.
I got an error while running the command "*x lapw2 -up -qtl -c" *which is
given as below.
=============================================
Running LAPW2 in single processor mode
forrtl: No such file or directory
forrtl: severe (29): file not found, unit 20, file
/home/venkatesh/Fe2VA75In25_SP_SCF/fort.20
Image PC Routine Line
Source
lapw2c 00000000005339CA Unknown Unknown Unknown
lapw2c 00000000005324C6 Unknown Unknown Unknown
lapw2c 00000000004E26C0 Unknown Unknown Unknown
lapw2c 00000000004A1AAE Unknown Unknown Unknown
lapw2c 00000000004A0FEF Unknown Unknown Unknown
lapw2c 00000000004BF008 Unknown Unknown Unknown
lapw2c 0000000000474399 MAIN__ 148 lapw2_tmp_.F
lapw2c 00000000004038CC Unknown Unknown Unknown
libc.so.6 0000003D66C1ECDD Unknown Unknown Unknown
lapw2c 00000000004037C9 Unknown Unknown Unknown
0.006u 0.006s 0:00.01 0.0% 0+0k 0+8io 0pf+0w
error: command /usr/local/WIEN2K_12/lapw2c uplapw2.def failed
===========================================================
I have searched in the wien2k mailing list regarding to this error and have
not found any suitable information. Kindly, suggest me the possible reason
for this error.
thanks in advance
With best regards,
Ch. Venkatesh,
C/o. Prof. V. Srinivas,
Department of Physics
IIT chennai
ph: +91445909693
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