./iterations/neb0_image01_iter147_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 0.365303561936E+03 0.36530E+03 -0.14294E+04 624 0.799E+02
DAV: 2 0.318427244268E+01 -0.36212E+03 -0.34928E+03 836 0.195E+02
DAV: 3 -0.955418037837E+02 -0.98726E+02 -0.98375E+02 666 0.116E+02
DAV: 4 -0.100179446164E+03 -0.46376E+01 -0.46263E+01 712 0.287E+01
DAV: 5 -0.100272531683E+03 -0.93086E-01 -0.93039E-01 736 0.362E+00 0.222E+01
DAV: 6 -0.916692101521E+02 0.86033E+01 -0.31039E+01 688 0.299E+01 0.116E+01
DAV: 7 -0.908745846984E+02 0.79463E+00 -0.18298E+00 704 0.641E+00 0.484E+00
DAV: 8 -0.904991745133E+02 0.37541E+00 -0.55511E-01 704 0.429E+00 0.166E+00
DAV: 9 -0.904171440865E+02 0.82030E-01 -0.13313E-01 728 0.166E+00 0.422E-01
DAV: 10 -0.904124186778E+02 0.47254E-02 -0.47036E-02 712 0.124E+00 0.321E-01
DAV: 11 -0.904164649784E+02 -0.40463E-02 -0.75681E-03 608 0.554E-01 0.122E-01
DAV: 12 -0.904199371422E+02 -0.34722E-02 -0.66848E-03 632 0.455E-01 0.133E-01
DAV: 13 -0.904223264636E+02 -0.23893E-02 -0.16241E-03 856 0.313E-01 0.751E-02
DAV: 14 -0.904254631469E+02 -0.31367E-02 -0.14824E-03 639 0.194E-01 0.679E-02
DAV: 15 -0.904271496562E+02 -0.16865E-02 -0.31759E-04 680 0.112E-01 0.553E-02
DAV: 16 -0.904284881705E+02 -0.13385E-02 -0.10400E-03 653 0.198E-01 0.365E-02
DAV: 17 -0.904293038280E+02 -0.81566E-03 -0.13963E-04 669 0.801E-02 0.325E-02
DAV: 18 -0.904296339900E+02 -0.33016E-03 -0.87299E-05 661 0.468E-02 0.172E-02
DAV: 19 -0.904297977914E+02 -0.16380E-03 -0.86758E-05 647 0.513E-02 0.971E-03
DAV: 20 -0.904298253394E+02 -0.27548E-04 -0.69691E-06 520 0.181E-02 0.931E-03
DAV: 21 -0.904298653463E+02 -0.40007E-04 -0.78089E-06 398 0.154E-02 0.607E-03
DAV: 22 -0.904298736587E+02 -0.83125E-05 -0.53236E-06 480 0.156E-02
1 F= -.90429874E+02 E0= -.90435335E+02 d E =0.163852E-01