 *********************************************************
 *                                                       *
 *                  WELCOME TO ABACUS                    *
 *                                                       *
 *            'Atomic-orbital Based Ab-initio            *
 *                  Computation at UStc'                 *
 *                                                       *
 *          Website: http://abacus.ustc.edu.cn/          *
 *                                                       *
 *********************************************************
 Wed Aug 18 19:10:45 2021
 MAKE THE DIR         : OUT.autotest/
 DONE(0.075923   SEC) : SETUP UNITCELL
 DONE(0.109651   SEC) : SYMMETRY
 DONE(0.112028   SEC) : INIT K-POINTS
 ---------------------------------------------------------
 Self-consistent calculations for electrons
 ---------------------------------------------------------
 SPIN    KPOINTS         PROCESSORS  
 2       6               1           
 ---------------------------------------------------------
 Use plane wave basis
 ---------------------------------------------------------
 ELEMENT NATOM       XC          
 Si      2           NOX NOC SCAN SCAN
 ---------------------------------------------------------
 Initial plane wave basis and FFT box
 ---------------------------------------------------------
 DONE(0.158682   SEC) : INIT PLANEWAVE
 UNIFORM GRID DIM     : 24 * 24 * 24
 UNIFORM GRID DIM(BIG): 24 * 24 * 24
 MEMORY FOR PSI (MB)  : 0.225769
 DONE(0.198084   SEC) : LOCAL POTENTIAL
 DONE(0.34976    SEC) : NON-LOCAL POTENTIAL
 START POTENTIAL      : atomic
 DONE(0.41353    SEC) : INIT POTENTIAL
 DONE(0.67853    SEC) : INIT BASIS
 -------------------------------------------
 SELF-CONSISTENT : 
 -------------------------------------------
 ITER   TMAG      AMAG      ETOT(eV)       EDIFF(eV)      SCF_THR      CG_ITER    TIME(S)    
 CG1    0.00e+00  0.00e+00  -2.120086e+02  0.000000e+00   9.608e-02  1.944e+00  1.590e+00  
 CG2    0.00e+00  0.00e+00  -2.116587e+02  3.499795e-01   9.310e-03  2.500e+00  1.880e+00  
 CG3    0.00e+00  0.00e+00  -2.116647e+02  -6.064108e-03  3.044e-04  2.944e+00  1.710e+00  
 CG4    0.00e+00  0.00e+00  -2.116973e+02  -3.259780e-02  5.018e-05  3.111e+00  1.890e+00  
 CG5    0.00e+00  0.00e+00  -2.116856e+02  1.167005e-02   5.054e-07  2.889e+00  2.220e+00  
 CG6    0.00e+00  0.00e+00  -2.116006e+02  8.504648e-02   3.186e-07  4.000e+00  1.780e+00  
 CG7    0.00e+00  0.00e+00  -2.115971e+02  3.493277e-03   7.052e-06  4.611e+00  2.560e+00  
 CG8    0.00e+00  0.00e+00  -2.116013e+02  -4.185755e-03  7.254e-06  2.722e+00  1.740e+00  
 CG9    0.00e+00  0.00e+00  -2.116013e+02  8.273375e-06   7.275e-06  2.667e+00  1.490e+00  
 CG10   0.00e+00  0.00e+00  -2.116870e+02  -8.567828e-02  7.417e-06  2.667e+00  1.690e+00  
 CG11   0.00e+00  0.00e+00  -2.116054e+02  8.155090e-02   2.366e-07  4.611e+00  2.420e+00  
 CG12   0.00e+00  0.00e+00  -2.115969e+02  8.523799e-03   4.964e-06  4.611e+00  2.420e+00  
 CG13   0.00e+00  0.00e+00  -2.116011e+02  -4.229790e-03  7.363e-06  3.500e+00  2.000e+00  
 CG14   0.00e+00  0.00e+00  -2.116016e+02  -4.540211e-04  3.446e-06  3.500e+00  2.190e+00  
 CG15   0.00e+00  0.00e+00  -2.116012e+02  3.580907e-04   4.049e-06  2.667e+00  1.610e+00  
 CG16   0.00e+00  0.00e+00  -2.116013e+02  -9.179175e-05  3.465e-06  2.667e+00  1.380e+00  
 CG17   0.00e+00  0.00e+00  -2.116011e+02  2.114734e-04   6.584e-06  3.222e+00  1.380e+00  
 CG18   0.00e+00  0.00e+00  -2.116012e+02  -1.246165e-04  7.835e-06  2.667e+00  1.110e+00  
 CG19   0.00e+00  0.00e+00  -2.116870e+02  -8.580977e-02  6.635e-06  2.667e+00  2.120e+00  
 CG20   0.00e+00  0.00e+00  -2.116060e+02  8.106770e-02   6.653e-06  4.667e+00  1.770e+00  
 CG21   0.00e+00  0.00e+00  -2.115963e+02  9.676347e-03   4.290e-06  4.667e+00  1.430e+00  
 CG22   0.00e+00  0.00e+00  -2.116015e+02  -5.247177e-03  1.606e-06  3.500e+00  1.590e+00  
 CG23   0.00e+00  0.00e+00  -2.116014e+02  1.617516e-04   8.878e-07  2.667e+00  1.720e+00  
 CG24   0.00e+00  0.00e+00  -2.116013e+02  9.114104e-05   8.852e-07  2.667e+00  1.600e+00  
 CG25   0.00e+00  0.00e+00  -2.116013e+02  -5.054983e-05  6.033e-07  2.667e+00  1.330e+00  
 CG26   0.00e+00  0.00e+00  -2.116014e+02  -7.180109e-05  1.254e-07  2.667e+00  1.940e+00  
 CG27   0.00e+00  0.00e+00  -2.116013e+02  5.293766e-05   1.440e-08  2.833e+00  2.110e+00  
 CG28   0.00e+00  0.00e+00  -2.116013e+02  6.832328e-05   4.926e-10  2.833e+00  1.740e+00  

  |CLASS_NAME---------|NAME---------------|TIME(Sec)-----|CALLS----|AVG------|PER%-------
                       total               17.081         17        1         1e+02     %
   Run_pw              plane_wave_line     17.058         1         17        1e+02     %
   Cell_PW             opt_cells_pw        16.91          1         17        99        %
   ppcell_vnl          init_vnl            0.15159        1         0.15      0.89      %
   Sphbes              Spherical_Bessel    0.17973        2710      6.6e-05   1.1       %
   FFT                 FFT3D               5.7767         39325     0.00015   34        %
   Potential           v_of_rho            2.6788         29        0.092     16        %
   Potential_Libxc     v_xc                8.4336         15        0.56      49        %
   Potential_Libxc     v_xc_meta           8.5049         15        0.57      50        %
   wavefunc            wfcinit             0.18625        1         0.19      1.1       %
   Hamilt_PW           diagH_subspace      2.2517         168       0.013     13        %
   Hamilt_PW           h_psi               10.631         3420      0.0031    62        %
   Hamilt_PW           vloc                1.4359         3420      0.00042   8.4       %
   Hamilt_PW           vnl                 3.7484         3420      0.0011    22        %
   Hamilt_PW           add_nonlocal_pp     0.11183        3420      3.3e-05   0.65      %
   Hamilt_PW           meta                5.436          3420      0.0016    32        %
   Ions                opt_ions_pw         16.391         1         16        96        %
   Electrons           self_consistent     16.391         1         16        96        %
   Symmetry            rho_symmetry        0.14232        116       0.0012    0.83      %
   Electrons           c_bands             8.3101         14        0.59      49        %
   Hamilt              diagH_pw            10.549         168       0.063     62        %
   Diago_CG            diag                8.4779         168       0.05      50        %
   electrons           c_bands             8.0232         14        0.57      47        %
   Charge              sum_band            1.0818         28        0.039     6.3       %
   Charge              mix_rho             0.12463        28        0.0045    0.73      %
 ----------------------------------------------------------------------------------------

 START  Time  : Wed Aug 18 19:10:45 2021
 FINISH Time  : Wed Aug 18 19:11:02 2021
 TOTAL  Time  : 17
 SEE INFORMATION IN : OUT.autotest/
