./iterations/neb0_image07_iter230_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 0.371212425046E+03 0.37121E+03 -0.14323E+04 632 0.799E+02
DAV: 2 0.375279276040E+01 -0.36746E+03 -0.35550E+03 869 0.194E+02
DAV: 3 -0.965959856287E+02 -0.10035E+03 -0.10005E+03 693 0.116E+02
DAV: 4 -0.101094542962E+03 -0.44986E+01 -0.44866E+01 696 0.277E+01
DAV: 5 -0.101184994890E+03 -0.90452E-01 -0.90392E-01 736 0.352E+00 0.226E+01
DAV: 6 -0.925762440057E+02 0.86088E+01 -0.30708E+01 717 0.299E+01 0.118E+01
DAV: 7 -0.917266771476E+02 0.84957E+00 -0.17379E+00 728 0.619E+00 0.480E+00
DAV: 8 -0.913526803901E+02 0.37400E+00 -0.54675E-01 728 0.398E+00 0.161E+00
DAV: 9 -0.912720371817E+02 0.80643E-01 -0.13033E-01 720 0.156E+00 0.420E-01
DAV: 10 -0.912633642995E+02 0.86729E-02 -0.39593E-02 768 0.102E+00 0.284E-01
DAV: 11 -0.912676924781E+02 -0.43282E-02 -0.10945E-02 616 0.547E-01 0.139E-01
DAV: 12 -0.912707338742E+02 -0.30414E-02 -0.25352E-03 621 0.264E-01 0.859E-02
DAV: 13 -0.912745113440E+02 -0.37775E-02 -0.13597E-03 639 0.173E-01 0.553E-02
DAV: 14 -0.912777992043E+02 -0.32879E-02 -0.10322E-03 778 0.245E-01 0.516E-02
DAV: 15 -0.912791051714E+02 -0.13060E-02 -0.38927E-04 680 0.118E-01 0.385E-02
DAV: 16 -0.912801308970E+02 -0.10257E-02 -0.21195E-04 760 0.813E-02 0.145E-02
DAV: 17 -0.912809752524E+02 -0.84436E-03 -0.12541E-04 704 0.573E-02 0.140E-02
DAV: 18 -0.912812421297E+02 -0.26688E-03 -0.21711E-05 544 0.243E-02 0.827E-03
DAV: 19 -0.912813590362E+02 -0.11691E-03 -0.26446E-05 552 0.273E-02 0.384E-03
DAV: 20 -0.912813851739E+02 -0.26138E-04 -0.29498E-06 488 0.115E-02 0.215E-03
DAV: 21 -0.912813963066E+02 -0.11133E-04 -0.13280E-06 440 0.554E-03 0.106E-03
DAV: 22 -0.912814067846E+02 -0.10478E-04 -0.15263E-06 431 0.552E-03 0.939E-04
DAV: 23 -0.912814071117E+02 -0.32711E-06 -0.28388E-07 536 0.291E-03
1 F= -.91281407E+02 E0= -.91286775E+02 d E =0.161041E-01