./iterations/neb0_image09_iter37_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 0.374889448042E+03 0.37489E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.255628249987E+01 -0.37233E+03 -0.35987E+03 877 0.196E+02
DAV: 3 -0.967613598241E+02 -0.99318E+02 -0.98988E+02 664 0.117E+02
DAV: 4 -0.101246832444E+03 -0.44855E+01 -0.44761E+01 696 0.285E+01
DAV: 5 -0.101335420050E+03 -0.88588E-01 -0.88548E-01 736 0.362E+00 0.227E+01
DAV: 6 -0.926609115479E+02 0.86745E+01 -0.30842E+01 712 0.301E+01 0.119E+01
DAV: 7 -0.917853525457E+02 0.87556E+00 -0.17218E+00 728 0.616E+00 0.479E+00
DAV: 8 -0.914084868942E+02 0.37687E+00 -0.54279E-01 712 0.396E+00 0.164E+00
DAV: 9 -0.913255929310E+02 0.82894E-01 -0.13170E-01 704 0.156E+00 0.426E-01
DAV: 10 -0.913166008092E+02 0.89921E-02 -0.44480E-02 760 0.111E+00 0.301E-01
DAV: 11 -0.913210373407E+02 -0.44365E-02 -0.13122E-02 616 0.598E-01 0.147E-01
DAV: 12 -0.913238571550E+02 -0.28198E-02 -0.25658E-03 623 0.239E-01 0.109E-01
DAV: 13 -0.913277591393E+02 -0.39020E-02 -0.18015E-03 650 0.220E-01 0.465E-02
DAV: 14 -0.913309867524E+02 -0.32276E-02 -0.61848E-04 680 0.163E-01 0.291E-02
DAV: 15 -0.913326193625E+02 -0.16326E-02 -0.18528E-04 664 0.749E-02 0.299E-02
DAV: 16 -0.913337778439E+02 -0.11585E-02 -0.18822E-04 674 0.779E-02 0.116E-02
DAV: 17 -0.913343661872E+02 -0.58834E-03 -0.56748E-05 645 0.386E-02 0.127E-02
DAV: 18 -0.913345987351E+02 -0.23255E-03 -0.34259E-05 592 0.331E-02 0.932E-03
DAV: 19 -0.913346993763E+02 -0.10064E-03 -0.15005E-05 445 0.212E-02 0.467E-03
DAV: 20 -0.913347239989E+02 -0.24623E-04 -0.56749E-06 496 0.127E-02 0.279E-03
DAV: 21 -0.913347459344E+02 -0.21936E-04 -0.45562E-06 395 0.134E-02 0.184E-03
DAV: 22 -0.913347539990E+02 -0.80646E-05 -0.18173E-06 469 0.617E-03
1 F= -.91334754E+02 E0= -.91339355E+02 d E =0.138033E-01