#Template for SCF calculations with abinit
#Provided by Tonatiuh Rangel

#prtvol  11

#symmorphi  0
chksymbreak  0

#I/O options:
prtden 1  #Print out density file
prtwf 0   #Do not write wavefunctions
prtvxc 1

#SCF options:
     iscf   17        #Mixing of the potential
   tolvrs  1.0d-10    #Convergence tolerance
#accesswff   1         #To write/read files using openmp

nstep 200             #number of steps in SCF

# k-point sampling
istwfk   *1           
kptopt    4           #Automatically get k-points in a Monkhorst-Pack scheme 
ngkpt     2 2 2    #Grid-size of k-points
nshiftk      1        #Apply one shift
shiftk 0.0 0.0 0.0    #Shift


include "basic.in"
