On 10/01/15 18:41, siham Sadki wrote: > K_POINTS {automatic} > 10 10 1 1 1 1
Dear Siham, using a k-point grid shifted along the Z direction is wrong for 2D materials, it is also probably wrong for applying dipfield. kind regards -- Dr. Lorenzo Paulatto IdR @ IMPMC -- CNRS & Université Paris 6 +33 (0)1 44 275 084 / skype: paulatz http://www-int.impmc.upmc.fr/~paulatto/ 23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05 _______________________________________________ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum