[Wien] Segmentation fault: kgen kgen.def failed

[shamik chakrabarti]

Dear Sir,

             I have done V-optimization and c/a optimization of Li doped
SnS2 prior to force minimization and both the calculation ran fine.
However, with the structure with optimize lattice parameters when fed for
force minimization, the error occurred during x kgen.

Surprisingly if I copy some structure from earlier simulation regarding V
or c/a optimization in the same directory, the simulation fails to run. I
have deleted the directory and ran everything fresh, but still the error
occurs. The optimize lattice parameter for Li doped SnS2 was come as ;
a=b=3.7918 A & c= 6.72964 A

Looking forward to your suggestions.

with regards,


On Sun, 9 Feb 2020 at 18:19, Laurence Marks <laurence.marks at gmail.com>
wrote:

> Don't restart your computer for this!
>
> The message is clear, kgen failed probably due to incorrect input.
> However, kgen is not used during force minimization. What were you actually
> doing when this error occurred?
>
> _____
> Professor Laurence Marks
> "Research is to see what everybody else has seen, and to think what nobody
> else has thought", Albert Szent-Gyorgi
> www.numis.northwestern.edu
>
> On Sun, Feb 9, 2020, 04:46 shamik chakrabarti <shamik15041981 at gmail.com>
> wrote:
>
>> Dear Wien2k users,
>>                                I have encountered an error during force
>> minimization of Li doped SnS2. The error is following;
>>
>>                     Segmentation fault
>> 0.0u 0.0s 0:00.00 0.0% 0+0k 0+0io 0pf+0w
>> error: command   /usr/local/Wien2k/kgen kgen.def   failed
>>
>> I have searched in the mailing list and it is found that at one time the
>> same error has been faced by an user and the problem was solved by
>> restarting the PC. Is that the only solution or there are other options?
>>
>> There are no error files created.
>>
>> Any response is eagerly awaited.
>>
>> with regards,
>>
>>
>> --
>> Dr. Shamik Chakrabarti
>> Research Fellow
>> Department of Physics
>> Indian Institute of Technology Patna
>> Bihta-801103
>> Patna
>> Bihar, India
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-- 
Dr. Shamik Chakrabarti
Research Fellow
Department of Physics
Indian Institute of Technology Patna
Bihta-801103
Patna
Bihar, India
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