./iterations/neb0_image05_iter67_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 0.373237963563E+03 0.37324E+03 -0.14309E+04 632 0.799E+02
DAV: 2 0.400119943055E+01 -0.36924E+03 -0.35726E+03 877 0.195E+02
DAV: 3 -0.938299561955E+02 -0.97831E+02 -0.97476E+02 640 0.116E+02
DAV: 4 -0.985282302209E+02 -0.46983E+01 -0.46856E+01 712 0.298E+01
DAV: 5 -0.986301250956E+02 -0.10189E+00 -0.10185E+00 736 0.390E+00 0.218E+01
DAV: 6 -0.904003657532E+02 0.82298E+01 -0.28722E+01 688 0.288E+01 0.112E+01
DAV: 7 -0.895594062816E+02 0.84096E+00 -0.17647E+00 728 0.655E+00 0.467E+00
DAV: 8 -0.891805713409E+02 0.37883E+00 -0.59777E-01 696 0.431E+00 0.154E+00
DAV: 9 -0.890976906914E+02 0.82881E-01 -0.12248E-01 712 0.157E+00 0.429E-01
DAV: 10 -0.890868794046E+02 0.10811E-01 -0.48144E-02 725 0.116E+00 0.330E-01
DAV: 11 -0.890893154418E+02 -0.24360E-02 -0.10437E-02 632 0.573E-01 0.118E-01
DAV: 12 -0.890915784636E+02 -0.22630E-02 -0.29941E-03 647 0.274E-01 0.114E-01
DAV: 13 -0.890969960349E+02 -0.54176E-02 -0.19205E-03 801 0.296E-01 0.640E-02
DAV: 14 -0.890993463706E+02 -0.23503E-02 -0.63406E-04 688 0.121E-01 0.432E-02
DAV: 15 -0.891025203379E+02 -0.31740E-02 -0.81221E-04 650 0.160E-01 0.345E-02
DAV: 16 -0.891032688671E+02 -0.74853E-03 -0.96362E-05 776 0.714E-02 0.190E-02
DAV: 17 -0.891043107187E+02 -0.10419E-02 -0.22031E-04 671 0.774E-02 0.147E-02
DAV: 18 -0.891046059608E+02 -0.29524E-03 -0.33915E-05 637 0.413E-02 0.778E-03
DAV: 19 -0.891047664329E+02 -0.16047E-03 -0.23827E-05 538 0.240E-02 0.380E-03
DAV: 20 -0.891048493457E+02 -0.82913E-04 -0.11693E-05 447 0.159E-02 0.355E-03
DAV: 21 -0.891048666855E+02 -0.17340E-04 -0.26069E-06 504 0.774E-03 0.321E-03
DAV: 22 -0.891048760425E+02 -0.93571E-05 -0.36115E-06 411 0.128E-02
1 F= -.89104876E+02 E0= -.89108748E+02 d E =0.116164E-01