iterations/neb0_image05_iter173_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 0.370771382265E+03 0.37077E+03 -0.14305E+04 624 0.799E+02
DAV: 2 0.416058622200E+01 -0.36661E+03 -0.35286E+03 850 0.195E+02
DAV: 3 -0.954411857538E+02 -0.99602E+02 -0.99278E+02 680 0.116E+02
DAV: 4 -0.100013306381E+03 -0.45721E+01 -0.45611E+01 720 0.282E+01
DAV: 5 -0.100104259498E+03 -0.90953E-01 -0.90908E-01 728 0.354E+00 0.223E+01
DAV: 6 -0.915800123055E+02 0.85242E+01 -0.30246E+01 680 0.298E+01 0.118E+01
DAV: 7 -0.907610762403E+02 0.81894E+00 -0.18320E+00 736 0.641E+00 0.482E+00
DAV: 8 -0.903839955995E+02 0.37708E+00 -0.52818E-01 736 0.422E+00 0.172E+00
DAV: 9 -0.902949204375E+02 0.89075E-01 -0.14461E-01 712 0.170E+00 0.447E-01
DAV: 10 -0.902874490506E+02 0.74714E-02 -0.40121E-02 752 0.129E+00 0.320E-01
DAV: 11 -0.902895730807E+02 -0.21240E-02 -0.55234E-03 640 0.506E-01 0.175E-01
DAV: 12 -0.902919189496E+02 -0.23459E-02 -0.59748E-03 632 0.405E-01 0.104E-01
DAV: 13 -0.902951719142E+02 -0.32530E-02 -0.10215E-03 650 0.195E-01 0.788E-02
DAV: 14 -0.902987875025E+02 -0.36156E-02 -0.14067E-03 658 0.179E-01 0.392E-02
DAV: 15 -0.903018306365E+02 -0.30431E-02 -0.32768E-04 669 0.822E-02 0.288E-02
DAV: 16 -0.903035580141E+02 -0.17274E-02 -0.30541E-04 688 0.903E-02 0.184E-02
DAV: 17 -0.903041885512E+02 -0.63054E-03 -0.50676E-05 616 0.417E-02 0.146E-02
DAV: 18 -0.903045401688E+02 -0.35162E-03 -0.74571E-05 623 0.439E-02 0.712E-03
DAV: 19 -0.903045937088E+02 -0.53540E-04 -0.58405E-06 512 0.180E-02 0.375E-03
DAV: 20 -0.903046519198E+02 -0.58211E-04 -0.12260E-05 426 0.193E-02 0.353E-03
DAV: 21 -0.903046656793E+02 -0.13759E-04 -0.27327E-06 496 0.986E-03 0.262E-03
DAV: 22 -0.903046719136E+02 -0.62343E-05 -0.20661E-06 426 0.934E-03
1 F= -.90304672E+02 E0= -.90313056E+02 d E =0.251519E-01