iterations/neb0_image07_iter219_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 0.371058012358E+03 0.37106E+03 -0.14322E+04 632 0.799E+02
DAV: 2 0.375538390739E+01 -0.36730E+03 -0.35535E+03 866 0.194E+02
DAV: 3 -0.964827089051E+02 -0.10024E+03 -0.99938E+02 688 0.116E+02
DAV: 4 -0.101078010403E+03 -0.45953E+01 -0.45829E+01 704 0.281E+01
DAV: 5 -0.101171062286E+03 -0.93052E-01 -0.92998E-01 736 0.357E+00 0.226E+01
DAV: 6 -0.925731934919E+02 0.85979E+01 -0.30644E+01 728 0.299E+01 0.118E+01
DAV: 7 -0.917256335554E+02 0.84756E+00 -0.17378E+00 720 0.619E+00 0.480E+00
DAV: 8 -0.913530405653E+02 0.37259E+00 -0.54555E-01 728 0.398E+00 0.161E+00
DAV: 9 -0.912722586050E+02 0.80782E-01 -0.13014E-01 728 0.156E+00 0.420E-01
DAV: 10 -0.912635892269E+02 0.86694E-02 -0.39612E-02 752 0.102E+00 0.284E-01
DAV: 11 -0.912679745043E+02 -0.43853E-02 -0.11071E-02 616 0.550E-01 0.141E-01
DAV: 12 -0.912709500742E+02 -0.29756E-02 -0.24460E-03 624 0.257E-01 0.879E-02
DAV: 13 -0.912747501098E+02 -0.38000E-02 -0.14251E-03 642 0.181E-01 0.539E-02
DAV: 14 -0.912777517066E+02 -0.30016E-02 -0.82084E-04 813 0.219E-01 0.435E-02
DAV: 15 -0.912792996439E+02 -0.15479E-02 -0.33480E-04 672 0.106E-01 0.345E-02
DAV: 16 -0.912803747997E+02 -0.10752E-02 -0.19452E-04 760 0.788E-02 0.157E-02
DAV: 17 -0.912811736817E+02 -0.79888E-03 -0.11329E-04 704 0.531E-02 0.125E-02
DAV: 18 -0.912814426785E+02 -0.26900E-03 -0.21045E-05 544 0.225E-02 0.690E-03
DAV: 19 -0.912815751809E+02 -0.13250E-03 -0.25533E-05 546 0.249E-02 0.391E-03
DAV: 20 -0.912815931289E+02 -0.17948E-04 -0.22294E-06 512 0.112E-02 0.198E-03
DAV: 21 -0.912816094442E+02 -0.16315E-04 -0.34858E-06 412 0.105E-02 0.159E-03
DAV: 22 -0.912816155878E+02 -0.61436E-05 -0.92563E-07 461 0.632E-03
1 F= -.91281616E+02 E0= -.91287148E+02 d E =0.165976E-01