Re: [Wien] Segmentation fault in w2w

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

Re: [Wien] Segmentation fault in w2w

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.ac.at

[Wien] Segmentation fault in w2w

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

Re: [Wien] Manually generate klist file

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:

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

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

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

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

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

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

[Wien] Error in wien2wannier for spin orbit coupling case

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

[Wien] Error in wien2wannier for spin orbit coupling case

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