[Wien] TiC band structure error

Subhasis Panda onnyorup.iit at gmail.com
Wed May 2 11:55:16 CEST 2018


Dear Sir,

I have installed Wien2k 17.1 version on a PC having core i5 with ubuntu
16.04 operating system, fortran compiler ifort, math libraries MKL.Then I
was trying to reproduce the example of TiC given in the users-guide and
successfully calculated electron density plot and DOS. But during band
structure calculation, while running lapw1-band command the following error
is showing. I'm using WIEN2k for the first time and have not much idea
about it. Any help will be highly appreciated.


 forrtl: severe (24): end-of-file during read, unit 5, file
/home/anupriya/anupriya.in1c
Image              PC                Routine            Line
Source
lapw1c             000000000046C16E  Unknown               Unknown  Unknown
lapw1c             000000000049F695  Unknown               Unknown  Unknown
lapw1c             00000000004427D0  parallel_mp_init_          75
modules_tmp_.F
lapw1c             0000000000416AB2  gtfnam_                    89
gtfnam_tmp_.F
lapw1c             0000000000433329  MAIN__                     35
lapw1_tmp_.F
lapw1c             00000000004046AE  Unknown               Unknown  Unknown
libc-2.23.so       00002B2AA003C830  __libc_start_main     Unknown  Unknown
lapw1c             00000000004045A9  Unknown               Unknown  Unknown
0.0u 0.0s 0:00.55 5.4% 0+0k 24936+0io 67pf+0w
error: command   /home/anupriya/wien2k/WIEN2k_17.1/lapw1c lapw1.def   failed

-- 



Best regards from,
------------------------------------------------------------
Dr. Subhasis Panda
Assistant Professor
Department of Physics
National Institute of Technology Silchar
Assam, India  - 788010.

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