./iterations/neb0_image08_iter142_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 0.375136672690E+03 0.37514E+03 -0.14284E+04 624 0.799E+02
DAV: 2 0.357148887277E+01 -0.37157E+03 -0.35928E+03 866 0.196E+02
DAV: 3 -0.967350213864E+02 -0.10031E+03 -0.99988E+02 669 0.117E+02
DAV: 4 -0.101246832928E+03 -0.45118E+01 -0.45004E+01 728 0.284E+01
DAV: 5 -0.101335411704E+03 -0.88579E-01 -0.88543E-01 712 0.359E+00 0.228E+01
DAV: 6 -0.926505494330E+02 0.86849E+01 -0.30852E+01 698 0.301E+01 0.119E+01
DAV: 7 -0.917746805082E+02 0.87587E+00 -0.17272E+00 728 0.615E+00 0.481E+00
DAV: 8 -0.913951559554E+02 0.37952E+00 -0.55592E-01 720 0.401E+00 0.161E+00
DAV: 9 -0.913146706603E+02 0.80485E-01 -0.13179E-01 704 0.157E+00 0.423E-01
DAV: 10 -0.913063744488E+02 0.82962E-02 -0.45457E-02 768 0.112E+00 0.303E-01
DAV: 11 -0.913108899948E+02 -0.45155E-02 -0.12361E-02 608 0.581E-01 0.135E-01
DAV: 12 -0.913139801967E+02 -0.30902E-02 -0.28920E-03 628 0.257E-01 0.107E-01
DAV: 13 -0.913173534407E+02 -0.33732E-02 -0.10873E-03 653 0.182E-01 0.487E-02
DAV: 14 -0.913206126926E+02 -0.32593E-02 -0.85428E-04 656 0.165E-01 0.386E-02
DAV: 15 -0.913220619684E+02 -0.14493E-02 -0.18151E-04 760 0.888E-02 0.384E-02
DAV: 16 -0.913234756538E+02 -0.14137E-02 -0.35873E-04 631 0.948E-02 0.168E-02
DAV: 17 -0.913239484834E+02 -0.47283E-03 -0.69146E-05 728 0.540E-02 0.146E-02
DAV: 18 -0.913242161548E+02 -0.26767E-03 -0.48540E-05 623 0.326E-02 0.984E-03
DAV: 19 -0.913242691355E+02 -0.52981E-04 -0.77297E-06 496 0.172E-02 0.443E-03
DAV: 20 -0.913243027439E+02 -0.33608E-04 -0.87664E-06 415 0.178E-02 0.222E-03
DAV: 21 -0.913243198218E+02 -0.17078E-04 -0.23513E-06 445 0.718E-03 0.223E-03
DAV: 22 -0.913243255787E+02 -0.57569E-05 -0.95516E-07 447 0.594E-03
1 F= -.91324326E+02 E0= -.91329185E+02 d E =0.145786E-01