Gabriele Sclauzero wrote: > Another suggestion: if 0.3333 is an approximation to 1/3, you need to use > more significant > digits in order for the symmetry checking subroutine to recognize all > symmetry operations
or to write 1/3: it should be accepted (only for atomic positions! a poor-man's parser is included in PWscf) P. -- Paolo Giannozzi, Democritos and University of Udine, Italy
