#NSCF general template for ABINIT:
#For larger runs, you may want to split the calculation
# see input file "in_larger"

#Definition of the method
iscf -3 #NSCF :use -3 to use weights given explicitely (see below)
tolwfr 1.d-13 #convergence threshold 
nband 36 #Number of bands
nbdbuf 4 #high energy bands difficult to converge, better skip them

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

#In case of running with a larger number of procs. than the number of k-points uncomment this:
#accesswff   1         #To write/read files using openmp
#autoparal   1         #To let the code decide how to paralelize the job
#npband      1         #Try to avoid paralelizing over bands, as sometimes can be problematic, this will force the code to paralelize over spin,kpoits and ffts only.


# k-point sampling
istwfk   *1
kptopt    0        #Give the k-points explicitly
include "kpt.in"   #k-points given in an external file

#weights
include "wtk.in"   #k-weights given in an external file

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