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
------------------
Physics-Techn.Institute,
Udmurt Federal Research Center, Ural Br. of Rus.Ac.Sci.
426000 Izhevsk Kirov str. 132
Russia
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