Dear Wien-Users,
I have compiled successfully (at least without any error during the
compilation) WIEN2K_14 with openmpi-1.10, intel16 with mkl support and gcc on
Linux (Debian 8). Openmpi have been compiled with ifort16.
Everything works fine in serial for the TiC example but when I move to pa
Dear Niraj,
Have you change symmetry operation 1 before running init_w2w?
Thanks
wasim
On Thu, Jun 30, 2016 at 11:34 PM, Niraj Aryal
wrote:
> Dear Elias
> Thank you for your reply.
> This is full error message I get when I run x w2w -up -so -p
>
> forrtl: severe (39): error during
Dear Elias
Thank you for your reply.
This is full error message I get when I run x w2w -up -so -p
forrtl: severe (39): error during read, unit 9, file
/home/aryal/work_wein2k/lapw/Zr2Te2P/wannier/./wannier.vectorsoup_1
Image PCRoutineLine
Source
w2wc
Dear Wen Fong Goh,
Sorry for the delayed reply, and thank you for the report both here
and on GitHub. Since this problem has become a recurring issue, I will
continue the discussion here, where more users are likely to see it.
On 06/01/2016 01:43 AM, Wen Fong Goh wrote:
> Hi, I know this issue h
Dear Gavin
Thanks a lot for your reply. I check that previous post. But as i understand
when we set the "number of choices" equal to 2 we can add two plasma
frequencies in .inkram but this compound is a cubic and "number of choices"
should be 1. In half metals each spin have a different band s
Dear all
In wien2k calculations do we include the Van Der Waals Interactions? if not
then why.
Regards
Azam
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29.06.2016 22:07, Maciej Polak wrote:
I'm curious though, how does it get there?
I am not a specialist in commands of shell, but there are several
commands writing their output to .timeso in lapwsopara, for example:
(cd $PWD;$t $exe ${def}_${loop}.def;rm -f .lock_$lockfile[$p])
>>.timeso_$loop
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