[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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