hi friend
I want to run scf for my nano layers but I can't because scf run lapw2 just.
I think it fall in a loop. I don't know why?
I have this messege
" lapw2 -fermi; weights wrriten
forrtl : severe (174) SIGSEGV, segmentation fault accurred
stack trace terminated abnormally"
please help methanks
--
Mona Rahimian MSc Student
Physics Department,
College of Sciences
Shiraz University, Shiraz, Iran
E-mail address:rahimia...@ymail.com
________________________________
From: Kevin Jorissen <kevinjorissen...@gmail.com>
To: A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at>
Sent: Tuesday, 28 October 2014, 2:24:57
Subject: Re: [Wien] (no subject)
1. Upgrade WIEN2k ; your version is much too old. We have version 14.1 now.
2. Spend a few hours reading the users guide and do the TiC example in the back
of the users guide.
3. Keep an eye out for the next WIEN2k workshop -- a great way to learn all
about WIEN2k from the experts.
We'll be happy to help you out beyond that! Welcome to WIEN2k!
Cheers
Kevin
On Tue, Oct 28, 2014 at 10:19 AM, Mona Rahimian <rahimia...@ymail.com> wrote:
Dear prof.Blaha. I want to start a relax calculation for mu supercell. My
wien2k is 11. It doesnt have " -min". what should I do>
>
>
>--
>
>Mona Rahimian MSc Student
>
>Physics Department,
>
>College of Sciences
>
>Shiraz University, Shiraz, Iran
>
>E-mail address:rahimia...@ymail.com
>
>_______________________________________________
>Wien mailing list
>Wien@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
>
>
_______________________________________________
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SEARCH the MAILING-LIST at:
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_______________________________________________
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