Re: [Wien] question about applying electric field in wien2k

2023-01-04 Thread Laurence Marks
The documentation is a little ambiguous (needs updating). Option 8 adds a constant potential, not a field -- all the options add some form of potential. One word of caution: make sure that the symmetry you are using is compatible with an electric field. -- Professor Laurence Marks Department of M

Re: [Wien] nn.def failed

2023-01-04 Thread Laurence Marks
What you sent describes the issue: /home/naincy/WIEN2k_21.1/nn: Command not found That means you did not compile it correctly. Go back and check for errors during the compilation when you did siteconfig. For instance, go to /home/Nancy/WIEN_21.1, do ./siteconfig and recompile just nn (for instanc

[Wien] question about applying electric field in wien2k

2023-01-04 Thread Zohreh Alsadat Nourbakhsh
Dear Wien2k admins and users I am using WIEN2k_21.1 on linux mint 21 (MATE 64-bit) mint code for apply external electric field to a two dimensional semimetal system. Unfortunatly, after following the userguide instructions, it seems that external electric has almost no effect on my electroni

Re: [Wien] nn.def failed

2023-01-04 Thread naincy Pandit
Dear Prof. Blaha sir and Wien2k users, i am working with Wien2k_21.1 version with Ubuntu 22.04 with oneAPI installed recently after installation i m geeting this type of error stop error error: command /home/naincy/WIEN2k_21.1/nn nn.def failed 0.000u 0.000s 0:00.00 0.0% 0+0k 0+0io 0p