iterations/neb0_image02_iter89_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 0.367888336824E+03 0.36789E+03 -0.14294E+04 624 0.799E+02
DAV: 2 0.468030809746E+01 -0.36321E+03 -0.34846E+03 834 0.195E+02
DAV: 3 -0.954773127872E+02 -0.10016E+03 -0.99823E+02 672 0.116E+02
DAV: 4 -0.100158068004E+03 -0.46808E+01 -0.46699E+01 712 0.287E+01
DAV: 5 -0.100250573468E+03 -0.92505E-01 -0.92464E-01 720 0.361E+00 0.222E+01
DAV: 6 -0.916591961816E+02 0.85914E+01 -0.30851E+01 688 0.298E+01 0.117E+01
DAV: 7 -0.908340495170E+02 0.82515E+00 -0.18205E+00 704 0.634E+00 0.483E+00
DAV: 8 -0.904468244516E+02 0.38723E+00 -0.56236E-01 696 0.429E+00 0.168E+00
DAV: 9 -0.903574554341E+02 0.89369E-01 -0.13909E-01 704 0.166E+00 0.435E-01
DAV: 10 -0.903510372703E+02 0.64182E-02 -0.46925E-02 712 0.128E+00 0.322E-01
DAV: 11 -0.903546317516E+02 -0.35945E-02 -0.71306E-03 616 0.482E-01 0.151E-01
DAV: 12 -0.903579546983E+02 -0.33229E-02 -0.71146E-03 610 0.473E-01 0.128E-01
DAV: 13 -0.903608626968E+02 -0.29080E-02 -0.13764E-03 968 0.317E-01 0.808E-02
DAV: 14 -0.903638924495E+02 -0.30298E-02 -0.13489E-03 637 0.173E-01 0.545E-02
DAV: 15 -0.903663229426E+02 -0.24305E-02 -0.42364E-04 677 0.117E-01 0.412E-02
DAV: 16 -0.903676462841E+02 -0.13233E-02 -0.53892E-04 656 0.128E-01 0.301E-02
DAV: 17 -0.903685301650E+02 -0.88388E-03 -0.16306E-04 821 0.842E-02 0.177E-02
DAV: 18 -0.903686812612E+02 -0.15110E-03 -0.33375E-05 688 0.306E-02 0.104E-02
DAV: 19 -0.903689024014E+02 -0.22114E-03 -0.40338E-05 561 0.311E-02 0.428E-03
DAV: 20 -0.903689325945E+02 -0.30193E-04 -0.27983E-06 488 0.962E-03 0.439E-03
DAV: 21 -0.903689813325E+02 -0.48738E-04 -0.65440E-06 400 0.147E-02 0.266E-03
DAV: 22 -0.903689929573E+02 -0.11625E-04 -0.35584E-06 477 0.906E-03 0.244E-03
DAV: 23 -0.903689956836E+02 -0.27263E-05 -0.94727E-07 480 0.649E-03
1 F= -.90368996E+02 E0= -.90374809E+02 d E =0.174387E-01