[Wien] K-gen failed with segmentation fault

[Tran, Fabien]

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<mailto: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<mailto:wien-bounces at zeus.theochem.tuwien.ac.at>> on behalf of shamik chakrabarti <shamik15041981 at gmail.com<mailto: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
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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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