[Wien] K-gen failed with segmentation fault

[shamik chakrabarti]

Dear Dr. Tran,

                    I am working with w2web interface & I have done
initialization using the gui. "x kgen" has been implied as a continuation
part of the initialization using gui.

with regards,

On Mon, 23 Mar 2020 at 13:46, Tran, Fabien <fabien.tran at tuwien.ac.at> wrote:

> What command did you execute? "Init_lapw" or only "x kgen"? Are you
> working on the terminal or with the w2web interface?
>
>
> ------------------------------
> *From:* Wien <wien-bounces at zeus.theochem.tuwien.ac.at> on behalf of
> shamik chakrabarti <shamik15041981 at gmail.com>
> *Sent:* Monday, March 23, 2020 9:12 AM
> *To:* A Mailing list for WIEN2k users
> *Subject:* Re: [Wien] K-gen failed with segmentation fault
>
> Dear Dr. Tran,
>
>                  I have given 4200 as the total K-points as input. I have
> no idea what is this "1" is all about. However, I was able to overcome this
> error by keeping 0% Rmt reduction during initialization.
>
> with regards,
>
> On Mon, 23 Mar 2020 at 13:27, Tran, Fabien <fabien.tran at tuwien.ac.at>
> wrote:
>
>> I can not reproduce this error, but anyway to what does " 4200 1 "
>> correspond? What is the "1"?
>>
>>
>>
>>
>> ------------------------------
>> *From:* Wien <wien-bounces at zeus.theochem.tuwien.ac.at> on behalf of
>> shamik chakrabarti <shamik15041981 at gmail.com>
>> *Sent:* Monday, March 23, 2020 6:55 AM
>> *To:* A Mailing list for WIEN2k users
>> *Subject:* [Wien] K-gen failed with segmentation fault
>>
>> Dear Wien2k users,
>>
>>                 I am trying to simulate a FCC cell of LiSnS2. During
>> initialization I got the following error;
>>
>> Commandline: x kgen
>> Program input is: " 4200 1 "
>>
>> 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
>>
>> Surprisingly, I am not getting this error during 8 Angstorm or 5.5
>> Angstorm  lattice parameter as being put in the initial structure file. I
>> am sending the current  structure file which shows the error, with this
>> mail. Is it due to some kind of bug???
>> Please use this struct file in wien2k_19.1 to see that whether the error
>> is being reproduced or not.
>>
>> Looking forward your reply in this regard.
>>
>> Thanks in advance.
>>
>> with regards,
>>
>> Looking
>>
>> I have not found any suitable solution in the mailing list. I am sending
>> the struc
>>
>> --
>> Dr. Shamik Chakrabarti
>> Research Fellow
>> Department of Physics
>> Indian Institute of Technology Patna
>> Bihta-801103
>> Patna
>> Bihar, India
>> _______________________________________________
>> Wien mailing list
>> Wien at zeus.theochem.tuwien.ac.at
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>> SEARCH the MAILING-LIST at:
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>>
>
>
> --
> Dr. Shamik Chakrabarti
> Research Fellow
> Department of Physics
> Indian Institute of Technology Patna
> Bihta-801103
> Patna
> Bihar, India
> _______________________________________________
> 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
>


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