[Pw_forum] MgH2 (input file)

Lorenzo Paulatto Lorenzo.Paulatto at impmc.upmc.fr
Wed Oct 19 15:45:34 CEST 2011


On Wed, 19 Oct 2011 15:40:04 +0200, Winfred Mulwa <mulwawinfred at gmail.com>  
wrote:
> in  xcrysden,there is bonding between two magnesium

Dear Mulwa,
in xcrysden the bond is draw when two atoms are closer than a certain  
threshold; you can change this threshold somewhere in the options.

However keep in mind that, whatever xcrysden draws, it does not influence  
the chemical properties of the material.

bests

-- 
Lorenzo Paulatto IdR @ IMPMC/CNRS & Université Paris 6
phone: +33 (0)1 44275 084 / skype: paulatz
www:   http://www-int.impmc.upmc.fr/~paulatto/
mail:  23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05


More information about the Pw_forum mailing list