./iterations/neb0_image05_iter95_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 0.373617471840E+03 0.37362E+03 -0.14309E+04 632 0.799E+02
DAV: 2 0.309932548507E+01 -0.37052E+03 -0.35821E+03 893 0.195E+02
DAV: 3 -0.942528544738E+02 -0.97352E+02 -0.97008E+02 634 0.116E+02
DAV: 4 -0.987996397212E+02 -0.45468E+01 -0.45358E+01 701 0.295E+01
DAV: 5 -0.988980530699E+02 -0.98413E-01 -0.98364E-01 712 0.384E+00 0.219E+01
DAV: 6 -0.905453412693E+02 0.83527E+01 -0.28606E+01 690 0.287E+01 0.112E+01
DAV: 7 -0.896551748592E+02 0.89017E+00 -0.18075E+00 728 0.671E+00 0.469E+00
DAV: 8 -0.892607325395E+02 0.39444E+00 -0.63206E-01 712 0.454E+00 0.154E+00
DAV: 9 -0.891781968132E+02 0.82536E-01 -0.12313E-01 728 0.167E+00 0.449E-01
DAV: 10 -0.891658448975E+02 0.12352E-01 -0.53415E-02 728 0.125E+00 0.351E-01
DAV: 11 -0.891672980413E+02 -0.14531E-02 -0.12482E-02 632 0.641E-01 0.121E-01
DAV: 12 -0.891690508325E+02 -0.17528E-02 -0.34486E-03 688 0.318E-01 0.129E-01
DAV: 13 -0.891751386928E+02 -0.60879E-02 -0.34042E-03 679 0.402E-01 0.771E-02
DAV: 14 -0.891775651087E+02 -0.24264E-02 -0.86454E-04 688 0.155E-01 0.593E-02
DAV: 15 -0.891806073426E+02 -0.30422E-02 -0.11673E-03 626 0.201E-01 0.387E-02
DAV: 16 -0.891815977819E+02 -0.99044E-03 -0.14347E-04 696 0.746E-02 0.265E-02
DAV: 17 -0.891828455275E+02 -0.12477E-02 -0.26564E-04 633 0.817E-02 0.130E-02
DAV: 18 -0.891831890210E+02 -0.34349E-03 -0.33227E-05 608 0.318E-02 0.930E-03
DAV: 19 -0.891833511039E+02 -0.16208E-03 -0.21783E-05 512 0.256E-02 0.391E-03
DAV: 20 -0.891834504021E+02 -0.99298E-04 -0.15620E-05 495 0.217E-02 0.582E-03
DAV: 21 -0.891834839126E+02 -0.33511E-04 -0.42646E-06 456 0.111E-02 0.361E-03
DAV: 22 -0.891834911892E+02 -0.72766E-05 -0.47237E-06 496 0.121E-02
1 F= -.89183491E+02 E0= -.89187675E+02 d E =0.125508E-01