./iterations/neb0_image09_iter102_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 0.374651080600E+03 0.37465E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.248962408879E+01 -0.37216E+03 -0.35983E+03 877 0.196E+02
DAV: 3 -0.967026293720E+02 -0.99192E+02 -0.98855E+02 656 0.117E+02
DAV: 4 -0.101240629094E+03 -0.45380E+01 -0.45286E+01 696 0.289E+01
DAV: 5 -0.101330388782E+03 -0.89760E-01 -0.89720E-01 736 0.368E+00 0.227E+01
DAV: 6 -0.926713381213E+02 0.86591E+01 -0.30851E+01 701 0.301E+01 0.119E+01
DAV: 7 -0.918020613337E+02 0.86928E+00 -0.17153E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.914249681814E+02 0.37709E+00 -0.54524E-01 712 0.396E+00 0.163E+00
DAV: 9 -0.913428487191E+02 0.82119E-01 -0.13072E-01 704 0.155E+00 0.424E-01
DAV: 10 -0.913340060662E+02 0.88427E-02 -0.45624E-02 768 0.112E+00 0.303E-01
DAV: 11 -0.913384634623E+02 -0.44574E-02 -0.12758E-02 616 0.589E-01 0.141E-01
DAV: 12 -0.913414839669E+02 -0.30205E-02 -0.29830E-03 620 0.245E-01 0.115E-01
DAV: 13 -0.913452452442E+02 -0.37613E-02 -0.15471E-03 728 0.217E-01 0.434E-02
DAV: 14 -0.913485576938E+02 -0.33124E-02 -0.58036E-04 661 0.132E-01 0.347E-02
DAV: 15 -0.913501032269E+02 -0.15455E-02 -0.14922E-04 688 0.762E-02 0.355E-02
DAV: 16 -0.913513949706E+02 -0.12917E-02 -0.33860E-04 650 0.930E-02 0.195E-02
DAV: 17 -0.913516903835E+02 -0.29541E-03 -0.49547E-05 688 0.515E-02 0.139E-02
DAV: 18 -0.913519572487E+02 -0.26687E-03 -0.49462E-05 556 0.341E-02 0.113E-02
DAV: 19 -0.913520345091E+02 -0.77260E-04 -0.97217E-06 480 0.183E-02 0.573E-03
DAV: 20 -0.913520666201E+02 -0.32111E-04 -0.10857E-05 448 0.205E-02 0.217E-03
DAV: 21 -0.913520892314E+02 -0.22611E-04 -0.39405E-06 442 0.949E-03 0.264E-03
DAV: 22 -0.913520945385E+02 -0.53071E-05 -0.89422E-07 458 0.436E-03
1 F= -.91352095E+02 E0= -.91356939E+02 d E =0.145337E-01