soroush pakseresht wrote: > I consider a saw-like electric field (as large as 0.0005 au~0.03 eV/A) > exerted along c-axis of my hexagonal unit cell[...] the calculation [...] > becomes slower and slower and eventually ends up with a dE much larger > than conv_thr
are you sure that your sawtooth potential doesn't changs sign in the middle of atoms? misunderstanding of the form of the sawtooth potential is a frequent reason for bad or no convergence P. -- Paolo Giannozzi, Democritos and University of Udine, Italy
