iterations/neb0_image06_iter54_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 0.375318929885E+03 0.37532E+03 -0.14309E+04 632 0.799E+02
DAV: 2 0.472928954218E+01 -0.37059E+03 -0.35734E+03 861 0.195E+02
DAV: 3 -0.954634354478E+02 -0.10019E+03 -0.99863E+02 664 0.117E+02
DAV: 4 -0.999978540632E+02 -0.45344E+01 -0.45235E+01 704 0.287E+01
DAV: 5 -0.100091387501E+03 -0.93533E-01 -0.93497E-01 728 0.365E+00 0.226E+01
DAV: 6 -0.915013722224E+02 0.85900E+01 -0.30669E+01 677 0.305E+01 0.117E+01
DAV: 7 -0.906690549954E+02 0.83232E+00 -0.17025E+00 728 0.625E+00 0.480E+00
DAV: 8 -0.902886140879E+02 0.38044E+00 -0.52596E-01 704 0.406E+00 0.164E+00
DAV: 9 -0.901982159065E+02 0.90398E-01 -0.12536E-01 720 0.165E+00 0.430E-01
DAV: 10 -0.901886639921E+02 0.95519E-02 -0.37106E-02 741 0.961E-01 0.309E-01
DAV: 11 -0.901932434586E+02 -0.45795E-02 -0.16533E-02 674 0.944E-01 0.220E-01
DAV: 12 -0.901933725960E+02 -0.12914E-03 -0.49116E-03 674 0.448E-01 0.144E-01
DAV: 13 -0.901974659589E+02 -0.40934E-02 -0.44412E-03 619 0.389E-01 0.121E-01
DAV: 14 -0.902001117707E+02 -0.26458E-02 -0.15431E-03 688 0.187E-01 0.758E-02
DAV: 15 -0.902030925895E+02 -0.29808E-02 -0.91315E-04 789 0.207E-01 0.290E-02
DAV: 16 -0.902049660722E+02 -0.18735E-02 -0.26488E-04 672 0.861E-02 0.282E-02
DAV: 17 -0.902058070650E+02 -0.84099E-03 -0.72967E-05 720 0.435E-02 0.174E-02
DAV: 18 -0.902065130933E+02 -0.70603E-03 -0.11937E-04 647 0.611E-02 0.131E-02
DAV: 19 -0.902066785364E+02 -0.16544E-03 -0.18106E-05 576 0.326E-02 0.673E-03
DAV: 20 -0.902067678612E+02 -0.89325E-04 -0.17264E-05 458 0.227E-02 0.368E-03
DAV: 21 -0.902068220539E+02 -0.54193E-04 -0.54812E-06 455 0.108E-02 0.180E-03
DAV: 22 -0.902068433254E+02 -0.21272E-04 -0.36419E-06 458 0.101E-02 0.221E-03
DAV: 23 -0.902068511835E+02 -0.78581E-05 -0.11067E-06 433 0.563E-03
1 F= -.90206851E+02 E0= -.90216698E+02 d E =0.295395E-01