[Pw_forum] dist.x utility

Paolo Giannozzi giannozz at democritos.it
Fri Oct 14 14:05:36 CEST 2011


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




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