./iterations/neb0_image04_iter244_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.366823621905E+03 0.36682E+03 -0.14292E+04 624 0.799E+02
DAV: 2 0.109030812307E+01 -0.36573E+03 -0.35455E+03 869 0.195E+02
DAV: 3 -0.961026307171E+02 -0.97193E+02 -0.96904E+02 672 0.116E+02
DAV: 4 -0.100277182877E+03 -0.41746E+01 -0.41658E+01 704 0.273E+01
DAV: 5 -0.100359094159E+03 -0.81911E-01 -0.81884E-01 736 0.341E+00 0.223E+01
DAV: 6 -0.916660652323E+02 0.86930E+01 -0.31253E+01 690 0.299E+01 0.117E+01
DAV: 7 -0.908202306188E+02 0.84583E+00 -0.18135E+00 704 0.657E+00 0.485E+00
DAV: 8 -0.904113917954E+02 0.40884E+00 -0.54780E-01 704 0.456E+00 0.179E+00
DAV: 9 -0.903217095101E+02 0.89682E-01 -0.14599E-01 728 0.221E+00 0.611E-01
DAV: 10 -0.903041530920E+02 0.17556E-01 -0.40982E-02 712 0.105E+00 0.362E-01
DAV: 11 -0.903061366349E+02 -0.19835E-02 -0.15767E-02 720 0.668E-01 0.291E-01
DAV: 12 -0.903083760236E+02 -0.22394E-02 -0.40813E-03 677 0.594E-01 0.159E-01
DAV: 13 -0.903115839657E+02 -0.32079E-02 -0.32152E-03 620 0.386E-01 0.108E-01
DAV: 14 -0.903153538418E+02 -0.37699E-02 -0.19058E-03 628 0.246E-01 0.522E-02
DAV: 15 -0.903179668197E+02 -0.26130E-02 -0.68799E-04 664 0.126E-01 0.554E-02
DAV: 16 -0.903202457389E+02 -0.22789E-02 -0.62289E-04 848 0.200E-01 0.436E-02
DAV: 17 -0.903213452804E+02 -0.10995E-02 -0.23634E-04 669 0.765E-02 0.366E-02
DAV: 18 -0.903219002395E+02 -0.55496E-03 -0.14563E-04 733 0.832E-02 0.184E-02
DAV: 19 -0.903221380098E+02 -0.23777E-03 -0.62719E-05 666 0.474E-02 0.107E-02
DAV: 20 -0.903222932850E+02 -0.15528E-03 -0.13632E-05 463 0.188E-02 0.891E-03
DAV: 21 -0.903224041053E+02 -0.11082E-03 -0.21866E-05 503 0.236E-02 0.476E-03
DAV: 22 -0.903224310384E+02 -0.26933E-04 -0.52095E-06 496 0.125E-02 0.285E-03
DAV: 23 -0.903224389662E+02 -0.79278E-05 -0.18542E-06 447 0.759E-03
1 F= -.90322439E+02 E0= -.90330514E+02 d E =0.242245E-01