[Wien] Error in GGA + So noncollinear magnetic structure calculations in WIENncm

2024-04-06 Thread Safikul Islam
r this calculation, I am getting the error *"SELECT -Error"*. Probably I am giving the wrong input. And how will I do GGA+so+U calculations using WIENncm? Sir, please help me so solve this issue. Eagerly waiting for your suggestions. Kind Regards, Safikul Islam __

Re: [Wien] WIENncm installation error

2023-12-16 Thread Safikul Islam
king forward to your suggestions for the dos calculations. Kind Regards, Safikul Islam On Fri, Dec 15, 2023 at 10:10 PM Safikul Islam < safikul.physics1...@gmail.com> wrote: > Dear Sir, > > I am getting errors while executing "x tetra" for dos and "x >

Re: [Wien] WIENncm installation error

2023-12-15 Thread Safikul Islam
ions for sorting out this problem. Kind Regards, Safikul Islam On Fri, Dec 15, 2023 at 12:47 AM Safikul Islam < safikul.physics1...@gmail.com> wrote: > Dear Sir, > > The problem has been sorted out. The error is due to the > 2013 Intel compiler. I am now tryi

Re: [Wien] WIENncm installation error

2023-12-14 Thread Safikul Islam
inear magnetic phase" the band structure has been calculated using WIENncm. I am not finding any commands for the band structure calculation in the WIENncm manual. Sir, how should I solve this problem? Looking for our suggestions eagerly. Kind Regards, Safikul Islam

Re: [Wien] WIENncm installation error

2023-12-14 Thread Safikul Islam
. Sir I request to you to please help me to sort out this problem. Kind Regards, Safikul Islam On Sun, Nov 19, 2023 at 10:44 AM Safikul Islam < safikul.physics1...@gmail.com> wrote: > Dear Sir, > >Even though I have added the p

Re: [Wien] WIENncm installation error

2023-11-18 Thread Safikul Islam
yPI export BERRYPI_PYTHON=/usr/bin/python2.7 alias berrypi="${BERRYPI_PYTHON} ${BERRYPI_PATH}/berrypi" # --- BERRYPI END --- # # added by WIEN2k: END ...............

Re: [Wien] WIENncm installation error

2023-11-18 Thread Safikul Islam
... Sir I eanestly request you to please help me to sort out this issue. Kind Regards, Safikul Islam On Sat, Nov 18, 2023 at 12:50 AM Safikul Islam < safikul.physics1...@gmail.com>

Re: [Wien] WIENncm installation error

2023-11-17 Thread Safikul Islam
Dear Professor Peter Blaha, The compilation is successful. I will try to recalculate for the given examples. I want to thank you so much for your kindness and your great assistance. Kind Regards, Safikul Islam On Fri, Nov 17, 2023 at 10:31 PM Safikul Islam < safikul.physics1...@gmail.

Re: [Wien] WIENncm installation error

2023-11-17 Thread Safikul Islam
.. Sir please help me to resolve this issue. Kind Regards, Safikul Islam On Fri, Nov 17, 2023 at 8:19 PM Safikul Islam wrote: > Dear Professor Peter Blaha, > > You are right. The path of ifortran compiler was not adjusted

Re: [Wien] WIENncm installation error

2023-11-17 Thread Safikul Islam
out this problem. Kind Regards, Safikul Islam On Fri, Nov 17, 2023 at 1:28 PM Safikul Islam wrote: > Dear Wien2k users and developers, > > I am trying to install WIENncm using ifortran compiler version 18.0.0. > But I am getting many errors. The error has been attached wi