./iterations/neb0_image09_iter106_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 0.374794789933E+03 0.37479E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.247700267286E+01 -0.37232E+03 -0.35998E+03 877 0.196E+02
DAV: 3 -0.968321819073E+02 -0.99309E+02 -0.98974E+02 664 0.117E+02
DAV: 4 -0.101262419576E+03 -0.44302E+01 -0.44211E+01 696 0.284E+01
DAV: 5 -0.101349077739E+03 -0.86658E-01 -0.86620E-01 736 0.361E+00 0.227E+01
DAV: 6 -0.926771146097E+02 0.86720E+01 -0.30889E+01 701 0.301E+01 0.119E+01
DAV: 7 -0.918030892048E+02 0.87403E+00 -0.17135E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.914251523461E+02 0.37794E+00 -0.54303E-01 712 0.395E+00 0.163E+00
DAV: 9 -0.913429458026E+02 0.82207E-01 -0.13210E-01 712 0.156E+00 0.425E-01
DAV: 10 -0.913341794825E+02 0.87663E-02 -0.46543E-02 784 0.114E+00 0.306E-01
DAV: 11 -0.913386064658E+02 -0.44270E-02 -0.13496E-02 616 0.608E-01 0.144E-01
DAV: 12 -0.913415014036E+02 -0.28949E-02 -0.29733E-03 631 0.241E-01 0.115E-01
DAV: 13 -0.913454076159E+02 -0.39062E-02 -0.17696E-03 696 0.227E-01 0.440E-02
DAV: 14 -0.913487232723E+02 -0.33157E-02 -0.54386E-04 669 0.129E-01 0.316E-02
DAV: 15 -0.913502695085E+02 -0.15462E-02 -0.14505E-04 696 0.682E-02 0.326E-02
DAV: 16 -0.913515618022E+02 -0.12923E-02 -0.33883E-04 650 0.926E-02 0.195E-02
DAV: 17 -0.913518229988E+02 -0.26120E-03 -0.42754E-05 656 0.468E-02 0.122E-02
DAV: 18 -0.913520610252E+02 -0.23803E-03 -0.46106E-05 556 0.325E-02 0.102E-02
DAV: 19 -0.913521415368E+02 -0.80512E-04 -0.78053E-06 480 0.184E-02 0.535E-03
DAV: 20 -0.913521732254E+02 -0.31689E-04 -0.14787E-05 448 0.238E-02 0.375E-03
DAV: 21 -0.913521919883E+02 -0.18763E-04 -0.31123E-06 442 0.102E-02 0.308E-03
DAV: 22 -0.913521975276E+02 -0.55393E-05 -0.16076E-06 442 0.736E-03
1 F= -.91352198E+02 E0= -.91356877E+02 d E =0.140381E-01