[Wien] Segmentation fault: kgen kgen.def failed

[shamik chakrabarti]

Dear Sir,

             The problem is solved. I have run everything in a fresh
directory & it is running fine. Thanks for your help :)

with regards,

On Sun, 9 Feb 2020 at 18:30, shamik chakrabarti <shamik15041981 at gmail.com>
wrote:

> 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
>


-- 
Dr. Shamik Chakrabarti
Research Fellow
Department of Physics
Indian Institute of Technology Patna
Bihta-801103
Patna
Bihar, India
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