#NSCF general template for ABINIT:

chksymbreak  0

#Dataset NSCF
tolwfr  1.d-18 


#Definition of the method
iscf -3 #NSCF :use -3 to use weights given explicitely (see below)
nband 6 #Number of bands
nbdbuf 1 #high energy bands difficult to converge, better skip them
nline 6 #Usually this is better for NSCF calculations


#I/O options
irdden 1        #Get density from first dataset
prtden 0        #Do not print density

#Output the VXC potential
prtvxc 0

# k-point sampling
istwfk   *1

kptopt   4
ngkpt     2 2 2 
shiftk   0.001 0.002 0.003


#Basic information: unit-cell, atoms, cutoffs, etc..
include "basic.in"
