Dear Amir, just run with less CPUs, or if for some reason you need more than 4 CPUs for a single atom, use the command line option "-ndiag 1" for pw.x
hth On Tuesday, February 23, 2016 07:17:27 PM Mofrad, Amir Mehdi wrote: > Dear all, > > > I want to run an scf calculation for one atom of silicon in a box but I get > the following error: > > > from check_para_diag : error # 2 > Too few bands for required ndiag > > > Any help would be appreciated. > > > Amir M. Mofrad -- Dr. Lorenzo Paulatto IdR @ IMPMC -- CNRS & Université Paris 6 +33 (0)1 44 275 084 / skype: paulatz http://www.impmc.upmc.fr/~paulatto/ 23-24/4é16 Boîte courrier 115 4 place Jussieu 75252 Paris Cédex 05 _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
