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

With apologies to Peter, I would not say that the options are experimental. If you are OK with handling Fortran, I suggest that you copy eramps.F then comment out "subroutine tester" and uncomment "program tester". Then compile run it. Be careful that, due to truncation of the Fourier series,

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

I suggest you stay with the default mode (the other options are more experimental) and put IFIELD=30. This produces for EFELD=1.0 Ry a zig-zag potential along z of 0.5 (for z=0), -0.5 (for z=0.5) and again 0.5 for z=1.0. Thus you need to setup a slab with your atoms centered around z=0.25 

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

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

[Wien] question about applying electric field in wien2k

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