KPOINTS mesh and number of k points
Posted: Wed Jul 31, 2013 9:17 pm
Dear all,
I was doing the KPOINT convergence for bulk copper.When i increse the K mesh from 20 20 20 to 25 25 25, the no of irreducible k ponits decreses from 770 to 455.Normally it should increase.right???The INCAR i uesd is the following
ISTART=0
ISPIN=1
ICHARGE=2
AMIX = 0.2
BMIX = 0.0001
AMIX_MAG = 0.8
BMIX_MAG = 0.0001
PREC=Normal
GGA=91
VOSKOWN=1
ISMEAR =2
SIGMA = 0.05
IBRION=2
NSW=100
POTIM=0.2
ISIF=2
I was doing the KPOINT convergence for bulk copper.When i increse the K mesh from 20 20 20 to 25 25 25, the no of irreducible k ponits decreses from 770 to 455.Normally it should increase.right???The INCAR i uesd is the following
ISTART=0
ISPIN=1
ICHARGE=2
AMIX = 0.2
BMIX = 0.0001
AMIX_MAG = 0.8
BMIX_MAG = 0.0001
PREC=Normal
GGA=91
VOSKOWN=1
ISMEAR =2
SIGMA = 0.05
IBRION=2
NSW=100
POTIM=0.2
ISIF=2