 READING UNITCELL INFORMATION
                       Number of elements = 2
                  Lattice constant (Bohr) = 6.1416
              Lattice constant (Angstrom) = 3.24999

                        TOTAL ATOM NUMBER = 2

 DIRECT COORDINATES
 atom                  x                  y                  z     mag
   Zn     0.000000000000     0.000000000000     0.000000000000  0.0000
    O     0.333329999999     0.666670000001     0.500000000000  0.0000

 ATOMIC VELOCITIES
 atom                 vx                 vy                 vz
   Zn                  0                  0                  0
    O                  0                  0                  0

                     Cell volume (Bohr^3) = 320.983
                        Cell volume (A^3) = 47.5648

 Lattice vectors: (Cartesian coordinate: in unit of a_0)
                   +1                  +0                  +0
                 -0.5              +0.866                  +0
                   +0                  +0                +1.6
 Reciprocal vectors: (Cartesian coordinate: in unit of 2 pi/a_0)
                   +1           +0.577367                  -0
                   -0            +1.15473                  -0
                   +0                  -0              +0.625

 #ENERGY SOLVER# ksdft_lcao

 SETUP K-POINTS
                                    nspin = 1
                   Input type of k points = Monkhorst-Pack(Gamma)
                                   nkstot = 2
                     Right-handed lattice = 1

 For reciprocal-space lattice
                     Bravais lattice type = 11
                     Bravais lattice name = 11. Orthorhombic C (base-centered)
                     Right-handed lattice = 1

 For k-vectors
                     Bravais lattice type = 12
                     Bravais lattice name = 12. Monoclinic P (simple)
                     Right-handed lattice = 1
              Number of rotation matrices = 8
           Number of irreducible k-points = 2

 K-POINTS REDUCTION ACCORDING TO SYMMETRY
     IBZ    DIRECT_X    DIRECT_Y    DIRECT_Z  WEIGHT  ibz2bz
       1  0.00000000  0.00000000  0.00000000  0.5000       0
       2  0.50000000  0.00000000  0.00000000  0.5000       1

                               nkstot now = 2
 K-POINTS DIRECT COORDINATES
 KPOINTS    DIRECT_X    DIRECT_Y    DIRECT_Z  WEIGHT
       1  0.00000000  0.00000000  0.00000000  0.5000
       2  0.50000000  0.00000000  0.00000000  0.5000


       Number of k-points in this process = 2
       Minimum distributed k-point number = 2

 K-POINTS CARTESIAN COORDINATES
 KPOINTS CARTESIAN_X CARTESIAN_Y CARTESIAN_Z  WEIGHT
       1  0.00000000  0.00000000  0.00000000  1.0000
       2  0.50000000  0.28868360  0.00000000  1.0000


 K-POINTS DIRECT COORDINATES
 KPOINTS    DIRECT_X    DIRECT_Y    DIRECT_Z  WEIGHT
       1  0.00000000  0.00000000  0.00000000  1.0000
       2  0.50000000  0.00000000  0.00000000  1.0000

 DONE : INIT K-POINTS Time : 0.172973 (SEC)

 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 --> #ION MOVE#         1  #ELEC ITER#         1
 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 Electron density deviation 0.0893377
 ----------------------------------------------------------
      Energy           Rydberg                 eV          
 ----------------------------------------------------------
  E_KohnSham     -142.2578934767      -1935.5179367603     
  E_Harris       -143.4816580020      -1952.1681073148     
  E_Fermi        -0.0852280930        -1.1595876945        
  E_gap(k)       0.3010005903         4.0953231295         
 ----------------------------------------------------------


 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 --> #ION MOVE#         1  #ELEC ITER#         2
 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 Electron density deviation 0.0527619
 ----------------------------------------------------------
      Energy           Rydberg                 eV          
 ----------------------------------------------------------
  E_KohnSham     -142.3016957759      -1936.1138976154     
  E_Harris       -143.6433224427      -1954.3676648718     
  E_Fermi        0.1242110447         1.6899779627         
  E_gap(k)       0.0037426876         0.0509218768         
 ----------------------------------------------------------


 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 --> #ION MOVE#         1  #ELEC ITER#         3
 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 Electron density deviation 0.0364934
 ----------------------------------------------------------
      Energy           Rydberg                 eV          
 ----------------------------------------------------------
  E_KohnSham     -142.2855446344      -1935.8941500616     
  E_KS(sigma->0) -142.2812283423      -1935.8354238938     
  E_Harris       -143.1222058877      -1947.2775104019     
  E_band         -6.0716994722        -82.6097093654       
  E_one_elec     -82.4655761013       -1122.0017238299     
  E_Hartree      52.4529512574        713.6590140163       
  E_xc           -22.3825551768       -304.5302862042      
  E_Ewald        -89.8817320294       -1222.9037017083     
  E_entropy(-TS) -0.0086325843        -0.1174523356        
  E_descf        0.0000000000         0.0000000000         
  E_localpp      -62.8392385880       -854.9717027777      
  E_exx          0.0000000000         0.0000000000         
  E_Fermi        0.1211730503         1.6486439277         
  E_gap(k)       0.0066246245         0.0901326401         
 ----------------------------------------------------------

 #SCF IS CONVERGED#
 #TOTAL ENERGY# -1935.8941501 eV
 Write eigenvalues and occupations to file: OUT.ABACUS/eig_occ.txt

 --------------------------------------------
 !FINAL_ETOT_IS -1935.894150061628 eV
 --------------------------------------------
