Info: Starting SCF iteration.
iter    1 : etot -1.68913976E+01 : abs_dens 5.81E-04 : etime     0.1s
iter    2 : etot -1.68908575E+01 : abs_dens 1.83E-04 : etime     0.0s
iter    3 : etot -1.68903964E+01 : abs_dens 1.09E-04 : etime     0.1s
iter    4 : etot -1.68903566E+01 : abs_dens 2.32E-05 : etime     0.1s
iter    5 : etot -1.68903171E+01 : abs_dens 1.55E-05 : etime     0.0s
iter    6 : etot -1.68903327E+01 : abs_dens 4.14E-06 : etime     0.1s
iter    7 : etot -1.68903369E+01 : abs_dens 1.23E-06 : etime     0.0s
iter    8 : etot -1.68903388E+01 : abs_dens 1.57E-06 : etime     0.0s

             Info: Writing states. 2024/10/18 at 13:47:41


        Info: Finished writing states. 2024/10/18 at 13:47:41

Info: SCF converged in    8 iterations

Info: Number of matrix-vector products:        200
Info: Starting SCF iteration.
Info: Starting SCF iteration.
iter    1 : etot -1.68903436E+01 : abs_dens 1.73E-06 : etime     0.1s
iter    2 : etot -1.68903446E+01 : abs_dens 7.46E-07 : etime     0.1s

             Info: Writing states. 2024/10/18 at 13:47:42


        Info: Finished writing states. 2024/10/18 at 13:47:42

Info: SCF converged in    2 iterations

Info: Number of matrix-vector products:         50


++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
+++++++++++++++++++++ MINIMIZATION ITER #:    1 ++++++++++++++++++++++
  Energy    =  -16.8903481568 eV
  Max force =    0.0409500446 eV/A
  Max dr    =    0.0423429600 A
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++

