iterations/neb0_image08_iter87_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 0.375429511091E+03 0.37543E+03 -0.14277E+04 624 0.799E+02
DAV: 2 0.366055729290E+01 -0.37177E+03 -0.35845E+03 869 0.196E+02
DAV: 3 -0.966828087953E+02 -0.10034E+03 -0.10000E+03 688 0.117E+02
DAV: 4 -0.101081358932E+03 -0.43986E+01 -0.43884E+01 688 0.276E+01
DAV: 5 -0.101169118472E+03 -0.87760E-01 -0.87721E-01 728 0.348E+00 0.226E+01
DAV: 6 -0.925765986504E+02 0.85925E+01 -0.30765E+01 698 0.302E+01 0.118E+01
DAV: 7 -0.917183125285E+02 0.85829E+00 -0.16794E+00 720 0.615E+00 0.480E+00
DAV: 8 -0.913394636541E+02 0.37885E+00 -0.55917E-01 704 0.403E+00 0.162E+00
DAV: 9 -0.912567058382E+02 0.82758E-01 -0.12885E-01 712 0.155E+00 0.425E-01
DAV: 10 -0.912473345343E+02 0.93713E-02 -0.46919E-02 720 0.112E+00 0.307E-01
DAV: 11 -0.912520537693E+02 -0.47192E-02 -0.13808E-02 624 0.603E-01 0.156E-01
DAV: 12 -0.912550433167E+02 -0.29895E-02 -0.32716E-03 623 0.254E-01 0.129E-01
DAV: 13 -0.912587413656E+02 -0.36980E-02 -0.19043E-03 776 0.253E-01 0.459E-02
DAV: 14 -0.912617076181E+02 -0.29663E-02 -0.49834E-04 656 0.113E-01 0.402E-02
DAV: 15 -0.912639072255E+02 -0.21996E-02 -0.20824E-04 653 0.672E-02 0.386E-02
DAV: 16 -0.912649834818E+02 -0.10763E-02 -0.36835E-04 661 0.966E-02 0.216E-02
DAV: 17 -0.912652829006E+02 -0.29942E-03 -0.54114E-05 680 0.522E-02 0.136E-02
DAV: 18 -0.912655314041E+02 -0.24850E-03 -0.46527E-05 562 0.302E-02 0.109E-02
DAV: 19 -0.912655759444E+02 -0.44540E-04 -0.57655E-06 496 0.177E-02 0.563E-03
DAV: 20 -0.912656143194E+02 -0.38375E-04 -0.16367E-05 401 0.264E-02 0.490E-03
DAV: 21 -0.912656308795E+02 -0.16560E-04 -0.33886E-06 472 0.112E-02 0.409E-03
DAV: 22 -0.912656387022E+02 -0.78227E-05 -0.21584E-06 410 0.892E-03
1 F= -.91265639E+02 E0= -.91270668E+02 d E =0.150872E-01