On Fri, 2011-10-14 at 11:30 +0900, mohaddeseh abbasnejad wrote: > The provided input file is wrong: ! first line contains nat, ibrav, celldm(1-6) > nat=2, ibrav=0, celldm(1) =10.26 read(1,*) nat, ibrav, celldm so you need 2 0 10.26 0.0 0.0 0.0 0.0 0. P. -- Paolo Giannozzi, IOM-Democritos and University of Udine, Italy