tory of BerryPi package) . And, I got the
same error. I wonder if this error occurs only for crystals with certain
symmetry.
The strange thing is w2w works fine without spin orbit coupling for all of
the above crystals.
I would really appreciate you feedback. Thank you!
--
With regards
N
erial case for both intel and gfortran compiler. But I
am yet to try the serial calculation for spin orbit coupling case. I don't
know if this has any connection with the error I mentioned above.
I will report if I found something more on this.
--
With regards
Niraj Aryal
Grad. Student
Flo
runs smoothly in serial version!
Also as I said here:
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg14497.html ,
I get no error at all when I consider bands starting from band index 1!
On Wed, Jun 29, 2016 at 12:02 PM, Elias Assmann
wrote:
> Dear Niraj Aryal,
>
> Sorr
Thank you for taking part in this discussion Wasim.
No I have not changed symmetry operation to 1.
On Jul 1, 2016 6:50 AM, "Elias Assmann" wrote:
> On 07/01/2016 07:33 AM, wasim raja Mondal wrote:
> > Have you change symmetry operation 1 before running
> init_w2w?
>
> Why would you
would appreciate any feedback from
the community.
--
With regards
Niraj Aryal
Grad. Student
Florida State University
Tallahassee, Florida-32304
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SEA
that is
defined in the encompassing structure.
For this, I used the executables from the old SRC_trig directory and they
work fine with the new w2w executable.
Thank you again!
On Fri, Jul 1, 2016 at 8:58 AM, Elias Assmann
wrote:
> Dear Niraj,
>
> On 06/30/2016 08:04 PM, Niraj Ar
problem in doing so.
I am attaching input file. You are welcome to try this.
On Mon, Jul 4, 2016 at 11:38 AM, Elias Assmann
wrote:
> Dear Niraj,
>
> On 07/02/2016 02:57 AM, Niraj Aryal wrote:
> > Thank you Elias. The newer version of w2w ran without giving any
> > errors for
ing like:
> *printf("%15d%5d%5d%5d%5.1f\n",$x,$y,$z,$common,2.0)*) so keep that in
> mind, and don't forget to put "END" at the end.
>
> Best regards
>
> Maciej Polak
>
>
>
>
>
> On 07/02/2016 12:37 AM, Niraj Aryal wrote:
>
> Dear
g18896.html
which was not solved.
I would greatly appreciate your suggestion/feedback regarding this problem.
You could also guide me to the right subroutines if you know the details of
the code.
Thank you.
Sincerely,
Niraj Aryal
Research Associate
Brookhaven National Lab.
Upt
look forward to your suggestions and feedback.
Sincerely,
Niraj Aryal
On Fri, Sep 11, 2020 at 8:08 PM Gavin Abo wrote:
> Not sure if it is related, but are you using the w2w fix that Jindrich
> previously posted for WIEN2k 19.2 [
> https://www.mail-archive.com/wien@zeus.theochem.tuwien.
8a450,452
>
> allocate(projection(Nb,inwf%Nproj, num_kpts))
>
661a666,668
> !deallocate projection array
> deallocate(projection)
>
i.e. please make the projection array dynamic.
Thank you.
Sincerely,
Niraj Aryal
Research Associate
Brookhaven National Lab.
Upton, NY
On S
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