 *********************************************************
 *                                                       *
 *                  WELCOME TO ABACUS                    *
 *                                                       *
 *            'Atomic-orbital Based Ab-initio            *
 *                  Computation at UStc'                 *
 *                                                       *
 *          Website: http://abacus.ustc.edu.cn/          *
 *                                                       *
 *********************************************************
 Fri Jul 23 14:35:54 2021
 MAKE THE DIR         : OUT.autotest1/
 DONE(0.117594   SEC) : SETUP UNITCELL
 DONE(0.119791   SEC) : INIT K-POINTS
 ---------------------------------------------------------
 Cell relaxation calculations
 ---------------------------------------------------------
 SPIN    KPOINTS         PROCESSORS  
 1       1               1           
 ---------------------------------------------------------
 Use plane wave basis
 ---------------------------------------------------------
 ELEMENT NATOM       XC          
 Sn      1           PBE
 Te      1           PBE
 ---------------------------------------------------------
 Initial plane wave basis and FFT box
 ---------------------------------------------------------
 DONE(0.158273   SEC) : INIT PLANEWAVE
 UNIFORM GRID DIM     : 27 * 27 * 90
 UNIFORM GRID DIM(BIG): 27 * 27 * 90
 MEMORY FOR PSI (MB)  : 1.34239
 DONE(0.256649   SEC) : LOCAL POTENTIAL
 DONE(0.355074   SEC) : NON-LOCAL POTENTIAL
 START POTENTIAL      : atomic
 DONE(0.472024   SEC) : INIT POTENTIAL
 DONE(0.51949    SEC) : INIT BASIS
 -------------------------------------------
 RELAX CELL : 1
 RELAX IONS : 1 (in total: 1)
 ---------------------------------------------------------
 -------------------------------------------
 ITER   ETOT(eV)       EDIFF(eV)      SCF_THR      CG_ITER    TIME(S)    
 CG1    -4.010456e+03  0.000000e+00   2.229e+00  1.012e+01  2.130e+00  
 CG2    -4.007921e+03  2.535046e+00   5.730e-01  2.000e+00  8.800e-01  
 CG3    -4.009341e+03  -1.419501e+00  4.543e-02  2.880e+00  8.800e-01  
 CG4    -4.009538e+03  -1.973093e-01  4.089e-03  4.200e+00  1.150e+00  
 CG5    -4.009555e+03  -1.711631e-02  5.254e-04  2.760e+00  9.000e-01  
 CG6    -4.009557e+03  -1.658623e-03  9.802e-05  3.160e+00  9.800e-01  
 CG7    -4.009557e+03  -4.133722e-04  7.294e-06  3.200e+00  9.700e-01  
 CG8    -4.009557e+03  -3.053642e-05  7.898e-07  3.440e+00  9.700e-01  
 CG9    -4.009557e+03  -2.861303e-06  2.092e-07  3.320e+00  9.400e-01  
 CG10   -4.009557e+03  -7.718375e-07  1.588e-08  3.000e+00  9.500e-01  
 CG11   -4.009557e+03  -6.368284e-08  5.383e-09  3.480e+00  9.600e-01  
 ><><><><><><><><><><><><><><><><><><><><><><
 TOTAL-STRESS (KBAR):
 ><><><><><><><><><><><><><><><><><><><><><><
 -1.676e+03     2.603e-04      2.103e-04      
 2.603e-04      -1.721e+03     1.404e-03      
 2.103e-04      1.404e-03      -1.713e+03     
 ETOT DIFF (eV)       : 0.000e+00
 LARGEST GRAD (eV/A)  : 4.104e-01

  |CLASS_NAME---------|NAME---------------|TIME(Sec)-----|CALLS----|AVG------|PER%-------
                       total               4.9793         15        0.33      1e+02     %
   Run_pw              plane_wave_line     4.9535         1         5         99        %
   Cell_PW             opt_cells_pw        4.8169         1         4.8       97        %
   Potential           init_pot            0.15965        2         0.08      3.2       %
   FFT                 FFT3D               1.9426         3193      0.00061   39        %
   Charge              atomic_rho          0.30257        3         0.1       6.1       %
   Potential           v_of_rho            0.49792        13        0.038     10        %
   H_XC_pw             v_xc                0.48281        14        0.034     9.7       %
   wavefunc            wfcinit             0.10383        2         0.052     2.1       %
   Hamilt_PW           diagH_subspace      0.46106        12        0.038     9.3       %
   Hamilt_PW           h_psi               2.0749         1076      0.0019    42        %
   Hamilt_PW           vloc                1.8872         1076      0.0018    38        %
   Hamilt_PW           vnl                 0.17867        1076      0.00017   3.6       %
   Ions                opt_ions_pw         4.4596         1         4.5       90        %
   Electrons           self_consistent     2.9874         1         3         60        %
   Electrons           c_bands             1.4881         6         0.25      30        %
   Hamilt              diagH_pw            2.1697         11        0.2       44        %
   Diago_CG            diag                1.7894         11        0.16      36        %
   electrons           c_bands             1.244          6         0.21      25        %
   Charge              sum_band            0.24087        11        0.022     4.8       %
   Forces              cal_force_nl        0.11868        1         0.12      2.4       %
   Stress_Func         stres_nl            0.84115        1         0.84      17        %
 ----------------------------------------------------------------------------------------

 START  Time  : Fri Jul 23 14:35:54 2021
 FINISH Time  : Fri Jul 23 14:35:59 2021
 TOTAL  Time  : 5
 SEE INFORMATION IN : OUT.autotest1/
