Hello wien2k users,
I am working on complex metallic structure(30 atoms), while relaxing structure
in scf, i use forces to relax with
runsp_lapw -ec 0.01 -cc 0.0001 -fc 0.1 -i 40 -p at 12*12*1 k mesh, after
150+ cycles graping warning command i receive following error(grep -e WARNING
*.scf
IRelast2D is a package for finding elastic constants of 2D-materials
(surfaces).It was developed by Morteza Jamal(m_jama...@yahoo.com) and is
distributed as a commercial package.
Formore information please contact the author.
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Wien mailing
On Tue, 2018-05-29 at 13:58 +0200, Peter Blaha wrote:
> I'm working on the new distribution, WIEN2k_18, where this variable
> should be initialized.
>
> It should come out within the next days ...
Thanks a lot, I'm looking forward to the new release.
Best regards
Pavel
>
> On 05/29/2018 12:36
I'm working on the new distribution, WIEN2k_18, where this variable
should be initialized.
It should come out within the next days ...
On 05/29/2018 12:36 PM, Pavel Ondračka wrote:
On Wed, 2018-05-09 at 14:17 -0500, Laurence Marks wrote:
You are right, this is a bug (potentially severe). In
On Wed, 2018-05-09 at 14:17 -0500, Laurence Marks wrote:
> You are right, this is a bug (potentially severe). In my local
> version I replaced somm with a more standard integration as somm
> interpolates to the origin (which is not right).
Will there be a fix for this bug?
Best regards
Pavel
>
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