Dear Pwscf users, I am doing surface calculations with pw.x and I have a very simple question concerning the automatic kpoints. I am generating the k points by the following input:
K_POINTS automatic n1 n2 1 0 0 0 According to the manuel the code is using MP k points but I am a bit surprised to find that the Gamma= 0,0,0 point is always present in the k points list whatever the parity of the integers n1 and n2. I was expecting to get the Gamma point only when n1 and n2 are odd numbers (for example n1=n2=25). But I also get the Gamma point when n1 and and n2 are even . Is the code really using MP k points or another scheme? cyrille -- ================================================================== Cyrille Barreteau CEA Saclay DSM/DRECAM/SPCSI Batiment 462 91191 Gif sur Yvette Cedex FRANCE ~~~~~~~~~~~~~~~~~~~~~~~~ phone : +33 (0)1 69 08 29 51 fax : +33 (0)1 69 08 84 46 email : cyrille.barreteau at cea.fr ~~~~~~~~~~~~~~~~~~~~~~~~ http://www-drecam.cea.fr/Images/Pisp/cbarreteau/cbarreteau_fr.html ==================================================================
