[Wien] Regarding Band structure error

Gavin Abo gsabo at crimson.ua.edu
Tue Jun 4 03:00:31 CEST 2019


That in1c error should be due to a previously reported bug in version 
17.1 [ 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17353.html 
].  Since using the fixed band.pl and scf.pl files in the mailing list 
archive will not fix all the other problems with 17.1, I recommend that 
you use WIEN2k 18.2 as it has all the fixes and improvements mentioned 
on the WIEN2k updates webpage [ 
http://susi.theochem.tuwien.ac.at/reg_user/updates/ ].  You will also 
want to patch 18.2 based on past mailing list archive posts.  Some of 
them I have compiled in a README file at:

https://github.com/gsabo/WIEN2k-Patches/tree/master/18.2

On 6/3/2019 6:51 AM, Arvind Kumar wrote:
> Dear Sir,
>            I am running Wien2K 17.1 in my laptop (configured with 
> ubuntu 18.4 with RAM 16GB). I am facing following error in band 
> structure with all the compounds.
> Commandline:*x lapw1 -band *
>
> Program input is:*""*
>
> forrtl: severe (24): end-of-file during read, unit 5, file /home/arvind/arvind.in1c
> Image              PC                Routine            Line        Source
> lapw1c             000000000046C05E  Unknown               Unknown  Unknown
> lapw1c             000000000049F585  Unknown               Unknown  Unknown
> lapw1c             0000000000442690  parallel_mp_init_          75  modules_tmp_.F
> lapw1c             0000000000416972  gtfnam_                    89  gtfnam_tmp_.F
> lapw1c             00000000004331E9  MAIN__                     35  lapw1_tmp_.F
> lapw1c             000000000040457E  Unknown               Unknown  Unknown
> libc-2.27.so  <http://libc-2.27.so>        000014DD2EDC0B97  __libc_start_main     Unknown  Unknown
> lapw1c             000000000040446A  Unknown               Unknown  Unknown
> 0.0u 0.0s 0:00.00 0.0% 0+0k 0+0io 0pf+0w
> error: command   /home/arvind/Wien2K/lapw1c lapw1.def   failed
>
>
> Please suggest me accordingly.
>
> with regards,
> Dr. Arvind Kumar
> Assistant Professor
> Department of Physics
> Atma Ram Sanatan Dharma College
> (University of Delhi)
> Dhaula Kuan, New Delhi-110021
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