./iterations/neb0_image09_iter237_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 0.374144306524E+03 0.37414E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.330674613396E+01 -0.37084E+03 -0.35822E+03 869 0.196E+02
DAV: 3 -0.967461964397E+02 -0.10005E+03 -0.99723E+02 661 0.117E+02
DAV: 4 -0.101276570311E+03 -0.45304E+01 -0.45197E+01 720 0.287E+01
DAV: 5 -0.101365316703E+03 -0.88746E-01 -0.88707E-01 720 0.364E+00 0.227E+01
DAV: 6 -0.926836410070E+02 0.86817E+01 -0.30980E+01 728 0.301E+01 0.119E+01
DAV: 7 -0.918117734652E+02 0.87187E+00 -0.17184E+00 720 0.613E+00 0.480E+00
DAV: 8 -0.914354771471E+02 0.37630E+00 -0.54523E-01 712 0.395E+00 0.162E+00
DAV: 9 -0.913547161875E+02 0.80761E-01 -0.13197E-01 712 0.155E+00 0.423E-01
DAV: 10 -0.913465945088E+02 0.81217E-02 -0.44102E-02 760 0.109E+00 0.300E-01
DAV: 11 -0.913509531740E+02 -0.43587E-02 -0.11861E-02 608 0.567E-01 0.132E-01
DAV: 12 -0.913542092623E+02 -0.32561E-02 -0.28684E-03 623 0.244E-01 0.109E-01
DAV: 13 -0.913576720697E+02 -0.34628E-02 -0.12796E-03 682 0.196E-01 0.425E-02
DAV: 14 -0.913609667339E+02 -0.32947E-02 -0.68456E-04 656 0.146E-01 0.359E-02
DAV: 15 -0.913622547691E+02 -0.12880E-02 -0.12582E-04 768 0.762E-02 0.325E-02
DAV: 16 -0.913637301421E+02 -0.14754E-02 -0.34217E-04 648 0.930E-02 0.180E-02
DAV: 17 -0.913641269441E+02 -0.39680E-03 -0.64022E-05 696 0.581E-02 0.124E-02
DAV: 18 -0.913643527062E+02 -0.22576E-03 -0.35862E-05 565 0.260E-02 0.863E-03
DAV: 19 -0.913644215882E+02 -0.68882E-04 -0.88530E-06 488 0.147E-02 0.387E-03
DAV: 20 -0.913644520435E+02 -0.30455E-04 -0.45850E-06 432 0.131E-02 0.139E-03
DAV: 21 -0.913644684670E+02 -0.16423E-04 -0.29397E-06 442 0.752E-03 0.189E-03
DAV: 22 -0.913644714120E+02 -0.29450E-05 -0.54445E-07 496 0.417E-03
1 F= -.91364471E+02 E0= -.91369296E+02 d E =0.144727E-01