iterations/neb0_image09_iter280_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 0.374006083573E+03 0.37401E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.327701914225E+01 -0.37073E+03 -0.35807E+03 869 0.196E+02
DAV: 3 -0.967496651343E+02 -0.10003E+03 -0.99701E+02 664 0.117E+02
DAV: 4 -0.101279289030E+03 -0.45296E+01 -0.45189E+01 720 0.287E+01
DAV: 5 -0.101368181550E+03 -0.88893E-01 -0.88856E-01 728 0.364E+00 0.227E+01
DAV: 6 -0.926847325576E+02 0.86834E+01 -0.30992E+01 728 0.301E+01 0.119E+01
DAV: 7 -0.918125301473E+02 0.87220E+00 -0.17112E+00 720 0.612E+00 0.480E+00
DAV: 8 -0.914362274932E+02 0.37630E+00 -0.54701E-01 704 0.397E+00 0.162E+00
DAV: 9 -0.913556508277E+02 0.80577E-01 -0.13109E-01 720 0.154E+00 0.422E-01
DAV: 10 -0.913474134361E+02 0.82374E-02 -0.44997E-02 752 0.108E+00 0.303E-01
DAV: 11 -0.913521029185E+02 -0.46895E-02 -0.13218E-02 608 0.597E-01 0.143E-01
DAV: 12 -0.913550998156E+02 -0.29969E-02 -0.28437E-03 620 0.227E-01 0.113E-01
DAV: 13 -0.913588528289E+02 -0.37530E-02 -0.22227E-03 701 0.249E-01 0.478E-02
DAV: 14 -0.913621591002E+02 -0.33063E-02 -0.57923E-04 664 0.129E-01 0.254E-02
DAV: 15 -0.913635402523E+02 -0.13812E-02 -0.11437E-04 688 0.576E-02 0.223E-02
DAV: 16 -0.913647594309E+02 -0.12192E-02 -0.22702E-04 645 0.747E-02 0.163E-02
DAV: 17 -0.913649357819E+02 -0.17635E-03 -0.20112E-05 512 0.372E-02 0.121E-02
DAV: 18 -0.913651740473E+02 -0.23827E-03 -0.86601E-05 618 0.517E-02 0.133E-02
DAV: 19 -0.913652366021E+02 -0.62555E-04 -0.18130E-05 584 0.345E-02 0.457E-03
DAV: 20 -0.913652641569E+02 -0.27555E-04 -0.10847E-05 440 0.169E-02 0.186E-03
DAV: 21 -0.913652845646E+02 -0.20408E-04 -0.36698E-06 448 0.913E-03 0.305E-03
DAV: 22 -0.913652911873E+02 -0.66227E-05 -0.10578E-06 445 0.635E-03
1 F= -.91365291E+02 E0= -.91370004E+02 d E =0.141383E-01