[QE-users] ibrav -13 for version 6.5

[S S R R Perumal]

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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20200601/ce5fd980/attachment.html>