Dear Ch. Venkatesh,
You can see that the error comes from the fort.20 file which is not found by
lapw2. So, the first thing you can do is to look in lapw2.def to which file
fort.20 corresponds to. Then you should be able to solve your problem.
HTH
Pascal
venkatesh chandragiri <venkyphysicsi...@gmail.com> wrote:
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
directoryforrtl: severe (29): file not found, unit 20, file
/home/venkatesh/Fe2VA75In25_SP_SCF/fort.20Image PC
Routine Line Source lapw2c
00000000005339CA Unknown Unknown Unknownlapw2c
00000000005324C6 Unknown Unknown Unknownlapw2c
00000000004E26C0 Unknown Unknown Unknownlapw2c
00000000004A1AAE Unknown Unknown Unknownlapw2c
00000000004A0FEF Unknown Unknown Unknownlapw2c
00000000004BF008 Unknown Unknown Unknownlapw2c
0000000000474399 MAIN__ 148 lapw2_tmp_.Flapw2c
00000000004038CC Unknown Unknown Unknownlibc.so.6
0000003D66C1ECDD Unknown Unknown Unknownlapw2c
00000000004037C9 Unknown Unknown Unknown0.006u 0.006s 0:00.01
0.0% 0+0k 0+8io 0pf+0werror: 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 chennaiph:
+91445909693_______________________________________________
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>-----------------
Pascal Boulet
Aix-Marseille University
MADIREL Laboratory
Avenue Normandie-Niemen
13397 Marseille Cedex 20
Email: pascal.bou...@univ-amu.fr
Tel. +33 413 55 18 10
Fax +33 413 55 18 50
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