iterations/neb0_image06_iter285_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 0.375236022262E+03 0.37524E+03 -0.14327E+04 632 0.799E+02
DAV: 2 0.612217716160E+01 -0.36911E+03 -0.35661E+03 853 0.194E+02
DAV: 3 -0.944074237317E+02 -0.10053E+03 -0.10012E+03 661 0.117E+02
DAV: 4 -0.990886915528E+02 -0.46813E+01 -0.46634E+01 712 0.292E+01
DAV: 5 -0.991827191192E+02 -0.94028E-01 -0.93970E-01 720 0.372E+00 0.223E+01
DAV: 6 -0.907758386695E+02 0.84069E+01 -0.29689E+01 693 0.302E+01 0.116E+01
DAV: 7 -0.899381992211E+02 0.83764E+00 -0.16558E+00 712 0.633E+00 0.482E+00
DAV: 8 -0.895487921173E+02 0.38941E+00 -0.59087E-01 704 0.423E+00 0.157E+00
DAV: 9 -0.894627353381E+02 0.86057E-01 -0.12231E-01 704 0.159E+00 0.436E-01
DAV: 10 -0.894525816512E+02 0.10154E-01 -0.42938E-02 720 0.103E+00 0.309E-01
DAV: 11 -0.894566736580E+02 -0.40920E-02 -0.11934E-02 608 0.612E-01 0.168E-01
DAV: 12 -0.894580104885E+02 -0.13368E-02 -0.28120E-03 664 0.312E-01 0.957E-02
DAV: 13 -0.894626991714E+02 -0.46887E-02 -0.26124E-03 617 0.257E-01 0.753E-02
DAV: 14 -0.894648636798E+02 -0.21645E-02 -0.62301E-04 760 0.205E-01 0.387E-02
DAV: 15 -0.894679790058E+02 -0.31153E-02 -0.70989E-04 630 0.132E-01 0.354E-02
DAV: 16 -0.894696098236E+02 -0.16308E-02 -0.24004E-04 701 0.967E-02 0.108E-02
DAV: 17 -0.894706464730E+02 -0.10366E-02 -0.17184E-04 677 0.610E-02 0.195E-02
DAV: 18 -0.894709074548E+02 -0.26098E-03 -0.24547E-05 544 0.352E-02 0.966E-03
DAV: 19 -0.894710364178E+02 -0.12896E-03 -0.35541E-05 656 0.319E-02 0.493E-03
DAV: 20 -0.894711145326E+02 -0.78115E-04 -0.76540E-06 436 0.183E-02 0.198E-03
DAV: 21 -0.894711360316E+02 -0.21499E-04 -0.25821E-06 480 0.769E-03 0.160E-03
DAV: 22 -0.894711494532E+02 -0.13422E-04 -0.21107E-06 407 0.767E-03 0.249E-03
DAV: 23 -0.894711540476E+02 -0.45944E-05 -0.10277E-06 458 0.648E-03
1 F= -.89471154E+02 E0= -.89476824E+02 d E =0.170086E-01