In data 26 luglio 2011 alle ore 01:31:57, Vi Vo <vovi47 at yahoo.com> ha scritto: > I was doing a test calculation for CuO and got a message: > " WARNING: atomic wfc # 6 for atom type 1 has zero norm > WARNING: atomic wfc # 6 for atom type 2 has zero norm > WARNING: atomic wfc # 2 for atom type 3 has zero norm > WARNING: atomic wfc # 4 for atom type 3 has zero norm > WARNING: atomic wfc # 5 for atom type 3 has zero norm > > The norm of the wfc is zero. Why does it happen? Does it depend on > the pseudo
It is not the wfc, but the atomic wfc. Unless you are doing an lda+U calculation yo ucan safely ignore the warning. best regards -- Lorenzo Paulatto IdR @ IMPMC/UPMC CNRS & Universit? Paris 6 phone: +33 (0)1 44275 084 / skype: paulatz www: http://www-int.impmc.upmc.fr/~paulatto/ mail: 23-24/4?14 Bo?te courrier 115, 4 place Jussieu 75252 Paris C?dex 05
