[QE-users] ibrav -13 for version 6.5

[Paolo Giannozzi]

You are right, I exchanged  "old" and "now"

Paolo

On Mon, Jun 1, 2020 at 10:09 AM S S R R Perumal <sathyasrrperumal at gmail.com>
wrote:

> Hi,
>     What I see from the pw documentation that
>
>  https://www.quantum-espresso.org/Doc/INPUT_PW.html
>
> that for ibrav -13 options definition of the cell matrix is defined with
> respect to old version as
>
> "v1(old) = v2(now), v2(old) = -v1(now)"
>
> but by comparing the output from version 6.5 and 6.3 I find that
>
> *v1*(old) = -*v2*(now) , *v2*(old) = v1(now)
>
> Are the definitions in the documentation correct?
>
> thanks
> S. Perumal
>
>
> --
> S S R R Perumal PhD
> TUE-CMS High Performance Computing Center
> Solid State and Structural Chemistry Unit,
> IISc, Bangalore.
> sathyasrrperumal at gmail.com
>
>
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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