iterations/neb0_image07_iter137_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 0.376144097242E+03 0.37614E+03 -0.14285E+04 624 0.799E+02
DAV: 2 0.393270690917E+01 -0.37221E+03 -0.35992E+03 874 0.196E+02
DAV: 3 -0.965445287252E+02 -0.10048E+03 -0.10013E+03 680 0.117E+02
DAV: 4 -0.101091702540E+03 -0.45472E+01 -0.45340E+01 712 0.283E+01
DAV: 5 -0.101182006409E+03 -0.90304E-01 -0.90265E-01 736 0.359E+00 0.227E+01
DAV: 6 -0.925598326145E+02 0.86222E+01 -0.30663E+01 709 0.301E+01 0.119E+01
DAV: 7 -0.916907947350E+02 0.86904E+00 -0.16798E+00 720 0.614E+00 0.480E+00
DAV: 8 -0.913146092435E+02 0.37619E+00 -0.54779E-01 712 0.399E+00 0.163E+00
DAV: 9 -0.912324832378E+02 0.82126E-01 -0.12834E-01 712 0.153E+00 0.426E-01
DAV: 10 -0.912233972440E+02 0.90860E-02 -0.43597E-02 744 0.107E+00 0.297E-01
DAV: 11 -0.912283719785E+02 -0.49747E-02 -0.13852E-02 605 0.612E-01 0.165E-01
DAV: 12 -0.912309370652E+02 -0.25651E-02 -0.26521E-03 650 0.233E-01 0.117E-01
DAV: 13 -0.912347788696E+02 -0.38418E-02 -0.21164E-03 640 0.254E-01 0.469E-02
DAV: 14 -0.912374532401E+02 -0.26744E-02 -0.41529E-04 672 0.117E-01 0.305E-02
DAV: 15 -0.912397757913E+02 -0.23226E-02 -0.23216E-04 640 0.677E-02 0.313E-02
DAV: 16 -0.912408379619E+02 -0.10622E-02 -0.22220E-04 688 0.713E-02 0.146E-02
DAV: 17 -0.912412900302E+02 -0.45207E-03 -0.35617E-05 592 0.299E-02 0.121E-02
DAV: 18 -0.912415187975E+02 -0.22877E-03 -0.32082E-05 584 0.241E-02 0.581E-03
DAV: 19 -0.912415629243E+02 -0.44127E-04 -0.57324E-06 488 0.174E-02 0.208E-03
DAV: 20 -0.912415931880E+02 -0.30264E-04 -0.51395E-06 415 0.123E-02 0.317E-03
DAV: 21 -0.912416065902E+02 -0.13402E-04 -0.18038E-06 453 0.676E-03 0.268E-03
DAV: 22 -0.912416092437E+02 -0.26535E-05 -0.14874E-06 512 0.887E-03
1 F= -.91241609E+02 E0= -.91246617E+02 d E =0.150229E-01