On Sep 7, 2011, at 18:12 , Xijun Wang wrote : > (2) Your K_POINTS card should be: K_POINTS {automatic} > But you use: K_POINTS (automatic)
this should not be a problem: the code actually looks for "automatic", not for "(" or "{". Also ignored: blank lines and inappropriate options pot_extrapolation = 'second order', wfc_extrapolation = 'second order' 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