[Wien] Regarding Band structure error

[Peter Blaha]

The error says:   end of file of  /home/arvind/arvind.in1c

You should NEVER do calculations in your home-directory.

When you make a new session in w2web, you MUST always also create a 
directory and change into it.

When you create the next new session and you use again your 
home-directory, it will lead to crashes and unpredictable behavior due 
to mixing of files of different sessions.

Am 04.06.2019 um 03:00 schrieb Gavin Abo:
> 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
> 
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at:  http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
> 

-- 
--------------------------------------------------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
Email: blaha at theochem.tuwien.ac.at    WIEN2k: http://www.wien2k.at
WWW: 
http://www.imc.tuwien.ac.at/tc_blaha-------------------------------------------------------------------------