On Mar 24, 2012, at 13:28 , Victor Meng'wa wrote:
> ecutwfc =10, ecutrho = 120, too small > from checkallsym : error # 1 > some of the original symmetry operations not satisfied > [...] > Sn 17.90421730 35.80862358 -0.000000000 0 0 0 > Sn 17.90421730 35.80862358 6.021425723 0 0 0 > [...] constraining atoms may break the symmetry. If so, the code will complain after the first force calculation P. --- Paolo Giannozzi, Dept of Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
