tory of BerryPi package) . And, I got the
same error. I wonder if this error occurs only for crystals with certain
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!
r) I use something 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:
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.
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 <elias.assm...@gmail.com>
> Dear Niraj,
> On 07/02/2016 02:57 AM, Niraj Aryal wrote:
> > Thank you Elias. The newer version of w2w ran without
ear Niraj Aryal,
> Sorry for the delayed reply. I will give my two Euro cents on your
> report below. If you have solved the problem in the meantime, please
> tell us what it was.
> On 06/15/2016 06:37 AM, Niraj Aryal wrote:
> > The crystal I am working is Zr2Te
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
0/2016 08:04 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 read, unit 9, file
> > /home/aryal/work_wein2k/lapw/Zr2Te2P/wanni
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