[Wien] Error in wien2wannier for spin orbit coupling case

2016-06-14 Thread Niraj Aryal
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

Re: [Wien] Manually generate klist file

2016-07-12 Thread Niraj Aryal
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:

[Wien] Error in wien2wannier for spin orbit coupling case

2016-06-28 Thread Niraj Aryal
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 Florida State

Re: [Wien] Error in wien2wannier for spin orbit coupling case

2016-07-05 Thread Niraj Aryal
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> wrote: > Dear Niraj, > > On 07/02/2016 02:57 AM, Niraj Aryal wrote: > > Thank you Elias. The newer version of w2w ran without

Re: [Wien] Error in wien2wannier for spin orbit coupling case

2016-06-30 Thread Niraj Aryal
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

Re: [Wien] Error in wien2wannier for spin orbit coupling case

2016-07-01 Thread Niraj Aryal
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 >

Re: [Wien] Error in wien2wannier for spin orbit coupling case

2016-07-01 Thread Niraj Aryal
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