[Wien] error while calculating DOS

[Pascal BOULET]

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 <venkyphysicsiitm at 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
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Email: pascal.boulet at univ-amu.fr
Tel. +33 413 55 18 10
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