On Sun, 2014-06-29 at 10:56 +0600, Khalid Ibne Masood Khalid wrote: > Not enough space allocated for radial FFT: try restarting with a > larger cell_factor."
restart from the last coordinates and cell (they are reprinted in a format that can be directly used in input) > I would like to mention again that the problem does not arise when I > use pbe pseudo potentials layered materials with intralayer vdW interactions behave quite differently with PBE and LDA (and both behave quite differently from reality) P. -- Paolo Giannozzi, Dept. Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
