My Community

Dear all,
Presently, I am performing GW calculations for various 2D materials with carrier dope. Using VASP, we can induce carrier dope with NELECT flag and I would like to know the necessity of super-cells for NELECT flag. Kindly suggest me the same

Thanks in advance

with regards
S. Appalakondaiah

please consider that vasp is based on periodic boundary conditions,
i.e. also the inserted additional charge is inserted in EACH unit cell and then
repeated periodically