iterations/neb0_image07_iter259_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 0.371831018515E+03 0.37183E+03 -0.14325E+04 632 0.799E+02
DAV: 2 0.382320338676E+01 -0.36801E+03 -0.35631E+03 866 0.194E+02
DAV: 3 -0.966807538863E+02 -0.10050E+03 -0.10018E+03 693 0.116E+02
DAV: 4 -0.101200518733E+03 -0.45198E+01 -0.45083E+01 704 0.280E+01
DAV: 5 -0.101289271527E+03 -0.88753E-01 -0.88701E-01 736 0.354E+00 0.227E+01
DAV: 6 -0.926224587734E+02 0.86668E+01 -0.30911E+01 701 0.300E+01 0.119E+01
DAV: 7 -0.917643906944E+02 0.85807E+00 -0.17288E+00 728 0.617E+00 0.481E+00
DAV: 8 -0.913882442815E+02 0.37615E+00 -0.53901E-01 736 0.395E+00 0.162E+00
DAV: 9 -0.913059707693E+02 0.82274E-01 -0.13007E-01 712 0.155E+00 0.421E-01
DAV: 10 -0.912968970402E+02 0.90737E-02 -0.43028E-02 765 0.105E+00 0.296E-01
DAV: 11 -0.913015249889E+02 -0.46279E-02 -0.13462E-02 608 0.602E-01 0.153E-01
DAV: 12 -0.913044308226E+02 -0.29058E-02 -0.28934E-03 620 0.266E-01 0.903E-02
DAV: 13 -0.913081415507E+02 -0.37107E-02 -0.15340E-03 639 0.188E-01 0.503E-02
DAV: 14 -0.913117438983E+02 -0.36023E-02 -0.10511E-03 711 0.231E-01 0.505E-02
DAV: 15 -0.913129984678E+02 -0.12546E-02 -0.40157E-04 688 0.115E-01 0.355E-02
DAV: 16 -0.913137620899E+02 -0.76362E-03 -0.17059E-04 728 0.792E-02 0.125E-02
DAV: 17 -0.913146924040E+02 -0.93031E-03 -0.14506E-04 714 0.633E-02 0.167E-02
DAV: 18 -0.913149176546E+02 -0.22525E-03 -0.22370E-05 560 0.332E-02 0.865E-03
DAV: 19 -0.913150394978E+02 -0.12184E-03 -0.35024E-05 640 0.310E-02 0.566E-03
DAV: 20 -0.913150689278E+02 -0.29430E-04 -0.27817E-06 504 0.139E-02 0.265E-03
DAV: 21 -0.913150906541E+02 -0.21726E-04 -0.31632E-06 424 0.833E-03 0.941E-04
DAV: 22 -0.913151020261E+02 -0.11372E-04 -0.11548E-06 453 0.382E-03 0.601E-04
DAV: 23 -0.913151039104E+02 -0.18843E-05 -0.27160E-07 488 0.180E-03
1 F= -.91315104E+02 E0= -.91319991E+02 d E =0.146608E-01