[Wien] (no subject)

[Lyudmila Dobysheva]

25.04.2018 17:12, Riyajul Islam wrote:
The
> purpose of my calculations is to get the ZnS bandstucture. Electron 
> density and DOS calculations were successful, when it comes to 
> bandstructure I am unable to run "x lapw1 -band" and I am getting the 
> following error message:
> forrtl: severe (24): end-of-file during read, unit 5, file /home/dipraj/dipraj.in1c
> Image              PC                Routine            Line        Source
> lapw1c             000000000046C71E  Unknown               Unknown  Unknown
> lapw1c             000000000049FE15  Unknown               Unknown  Unknown
> lapw1c             00000000004428C4  parallel_mp_init_          75  modules_tmp_.F
> lapw1c             0000000000416B86  gtfnam_                    89  gtfnam_tmp_.F
> lapw1c             00000000004333FD  MAIN__                     35  lapw1_tmp_.F
> lapw1c             000000000040471E  Unknown               Unknown  Unknown
> libc-2.17.so <http://libc-2.17.so>        00002B311DF79C05  __libc_start_main     Unknown  Unknown
> lapw1c             0000000000404629  Unknown               Unknown  Unknown
> 0.006u 0.007s 0:00.01 0.0%	0+0k 0+0io 0pf+0w
> error: command   /home/dipraj/wien2k/lapw1c lapw1.def   failed

Program tells you that something wrong with file dipraj.in1c
Maybe the previous calculations (Electron density and DOS) have been 
done with -real option and the bandstructure with -complex?
Then you have in the directory dipraj.in1 and no in1c

Maybe the file was occasionally removed/changed?

Best wishes
Lyudmila Dobysheva
------------------
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Udmurt Federal Research Center, Ural Br. of Rus.Ac.Sci.
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