[Pw_forum] Forces are not zero (for atoms in non-primitive cell)
Lorenzo Paulatto
lorenzo.paulatto at impmc.upmc.fr
Wed Nov 20 23:43:21 CET 2013
Using high verbosity you can have the different components of the forces
printed on output: can you report which are not equal?
--
Dr. 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 5
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