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
