#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  16  #Number of bands
nbdbuf  2 #high energy bands difficult to converge, better skip them
nline   6 #Usually this is better for NSCF calculations

irdwfk  0

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

# k-point sampling
istwfk   *1

kptopt 4
ngkpt  2 2 2
shiftk 0. 0. 0.


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