./iterations/neb0_image08_iter223_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 0.373827244007E+03 0.37383E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.265557482464E+01 -0.37117E+03 -0.35947E+03 877 0.196E+02
DAV: 3 -0.966702823189E+02 -0.99326E+02 -0.99023E+02 656 0.116E+02
DAV: 4 -0.101245690331E+03 -0.45754E+01 -0.45634E+01 720 0.289E+01
DAV: 5 -0.101336292936E+03 -0.90603E-01 -0.90553E-01 728 0.368E+00 0.227E+01
DAV: 6 -0.926563742006E+02 0.86799E+01 -0.30969E+01 714 0.300E+01 0.119E+01
DAV: 7 -0.917914020048E+02 0.86497E+00 -0.17226E+00 720 0.613E+00 0.480E+00
DAV: 8 -0.914165659515E+02 0.37484E+00 -0.54530E-01 720 0.395E+00 0.161E+00
DAV: 9 -0.913370425872E+02 0.79523E-01 -0.13073E-01 728 0.154E+00 0.419E-01
DAV: 10 -0.913291213666E+02 0.79212E-02 -0.44398E-02 752 0.107E+00 0.300E-01
DAV: 11 -0.913339699794E+02 -0.48486E-02 -0.13279E-02 608 0.599E-01 0.145E-01
DAV: 12 -0.913369266658E+02 -0.29567E-02 -0.27197E-03 636 0.225E-01 0.112E-01
DAV: 13 -0.913406438451E+02 -0.37172E-02 -0.24378E-03 639 0.258E-01 0.525E-02
DAV: 14 -0.913438248105E+02 -0.31810E-02 -0.76163E-04 653 0.160E-01 0.253E-02
DAV: 15 -0.913450817960E+02 -0.12570E-02 -0.14140E-04 680 0.659E-02 0.202E-02
DAV: 16 -0.913461712928E+02 -0.10895E-02 -0.16912E-04 639 0.738E-02 0.125E-02
DAV: 17 -0.913465700603E+02 -0.39877E-03 -0.32879E-05 600 0.328E-02 0.119E-02
DAV: 18 -0.913467781094E+02 -0.20805E-03 -0.38443E-05 629 0.342E-02 0.551E-03
DAV: 19 -0.913468608846E+02 -0.82775E-04 -0.79982E-06 456 0.152E-02 0.256E-03
DAV: 20 -0.913468857801E+02 -0.24896E-04 -0.42910E-06 485 0.872E-03 0.178E-03
DAV: 21 -0.913468958227E+02 -0.10043E-04 -0.12490E-06 426 0.481E-03 0.106E-03
DAV: 22 -0.913468988874E+02 -0.30647E-05 -0.73282E-07 439 0.365E-03
1 F= -.91346899E+02 E0= -.91351853E+02 d E =0.148618E-01