iterations/neb0_image09_iter277_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 0.374092565348E+03 0.37409E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.330081454140E+01 -0.37079E+03 -0.35814E+03 866 0.196E+02
DAV: 3 -0.968701676685E+02 -0.10017E+03 -0.99847E+02 672 0.117E+02
DAV: 4 -0.101305423667E+03 -0.44353E+01 -0.44247E+01 720 0.283E+01
DAV: 5 -0.101391384556E+03 -0.85961E-01 -0.85924E-01 728 0.358E+00 0.227E+01
DAV: 6 -0.926909416822E+02 0.87004E+01 -0.31018E+01 725 0.301E+01 0.119E+01
DAV: 7 -0.918121244690E+02 0.87882E+00 -0.17186E+00 720 0.613E+00 0.480E+00
DAV: 8 -0.914341251950E+02 0.37800E+00 -0.54849E-01 704 0.397E+00 0.162E+00
DAV: 9 -0.913535339142E+02 0.80591E-01 -0.13140E-01 720 0.154E+00 0.423E-01
DAV: 10 -0.913452223517E+02 0.83116E-02 -0.45841E-02 736 0.110E+00 0.306E-01
DAV: 11 -0.913499114741E+02 -0.46891E-02 -0.13747E-02 608 0.609E-01 0.145E-01
DAV: 12 -0.913529576987E+02 -0.30462E-02 -0.29718E-03 623 0.231E-01 0.120E-01
DAV: 13 -0.913566620989E+02 -0.37044E-02 -0.24929E-03 653 0.271E-01 0.500E-02
DAV: 14 -0.913598610861E+02 -0.31990E-02 -0.58716E-04 664 0.128E-01 0.272E-02
DAV: 15 -0.913614221812E+02 -0.15611E-02 -0.12249E-04 664 0.547E-02 0.224E-02
DAV: 16 -0.913626250925E+02 -0.12029E-02 -0.23922E-04 645 0.738E-02 0.179E-02
DAV: 17 -0.913627729221E+02 -0.14783E-03 -0.18173E-05 512 0.349E-02 0.131E-02
DAV: 18 -0.913630189351E+02 -0.24601E-03 -0.83360E-05 618 0.482E-02 0.118E-02
DAV: 19 -0.913630603137E+02 -0.41379E-04 -0.10652E-05 512 0.282E-02 0.567E-03
DAV: 20 -0.913630922089E+02 -0.31895E-04 -0.16245E-05 424 0.229E-02 0.298E-03
DAV: 21 -0.913631131747E+02 -0.20966E-04 -0.48726E-06 448 0.106E-02 0.425E-03
DAV: 22 -0.913631179399E+02 -0.47651E-05 -0.92752E-07 474 0.717E-03
1 F= -.91363118E+02 E0= -.91367808E+02 d E =0.140690E-01