./iterations/neb0_image09_iter122_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 0.374554802236E+03 0.37455E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.248450421464E+01 -0.37207E+03 -0.35975E+03 877 0.196E+02
DAV: 3 -0.968113182504E+02 -0.99296E+02 -0.98960E+02 664 0.117E+02
DAV: 4 -0.101247720060E+03 -0.44364E+01 -0.44271E+01 704 0.285E+01
DAV: 5 -0.101334353535E+03 -0.86633E-01 -0.86596E-01 736 0.361E+00 0.227E+01
DAV: 6 -0.926732603663E+02 0.86611E+01 -0.30907E+01 701 0.301E+01 0.119E+01
DAV: 7 -0.918048397352E+02 0.86842E+00 -0.17121E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.914278500943E+02 0.37699E+00 -0.54309E-01 712 0.395E+00 0.163E+00
DAV: 9 -0.913454445771E+02 0.82406E-01 -0.13129E-01 712 0.155E+00 0.425E-01
DAV: 10 -0.913366409438E+02 0.88036E-02 -0.46106E-02 784 0.113E+00 0.305E-01
DAV: 11 -0.913410435733E+02 -0.44026E-02 -0.13006E-02 613 0.596E-01 0.141E-01
DAV: 12 -0.913440147242E+02 -0.29712E-02 -0.29637E-03 626 0.247E-01 0.113E-01
DAV: 13 -0.913478213545E+02 -0.38066E-02 -0.15335E-03 701 0.213E-01 0.446E-02
DAV: 14 -0.913512647581E+02 -0.34434E-02 -0.64375E-04 672 0.143E-01 0.344E-02
DAV: 15 -0.913525822431E+02 -0.13175E-02 -0.13792E-04 680 0.769E-02 0.354E-02
DAV: 16 -0.913539513873E+02 -0.13691E-02 -0.37663E-04 644 0.102E-01 0.214E-02
DAV: 17 -0.913542440231E+02 -0.29264E-03 -0.63368E-05 720 0.610E-02 0.125E-02
DAV: 18 -0.913544728270E+02 -0.22880E-03 -0.42302E-05 570 0.319E-02 0.114E-02
DAV: 19 -0.913546006863E+02 -0.12786E-03 -0.13624E-05 472 0.192E-02 0.564E-03
DAV: 20 -0.913546361172E+02 -0.35431E-04 -0.11323E-05 456 0.208E-02 0.224E-03
DAV: 21 -0.913546578882E+02 -0.21771E-04 -0.46561E-06 428 0.105E-02 0.287E-03
DAV: 22 -0.913546629226E+02 -0.50345E-05 -0.93080E-07 472 0.455E-03
1 F= -.91354663E+02 E0= -.91359506E+02 d E =0.145292E-01