iterations/neb0_image09_iter282_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 0.374075263700E+03 0.37408E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.332134753728E+01 -0.37075E+03 -0.35812E+03 866 0.196E+02
DAV: 3 -0.967405418973E+02 -0.10006E+03 -0.99737E+02 664 0.117E+02
DAV: 4 -0.101275017343E+03 -0.45345E+01 -0.45236E+01 720 0.287E+01
DAV: 5 -0.101364164176E+03 -0.89147E-01 -0.89109E-01 728 0.365E+00 0.227E+01
DAV: 6 -0.926811562041E+02 0.86830E+01 -0.30993E+01 725 0.300E+01 0.119E+01
DAV: 7 -0.918112040279E+02 0.86995E+00 -0.17127E+00 720 0.613E+00 0.480E+00
DAV: 8 -0.914355852520E+02 0.37562E+00 -0.54623E-01 704 0.397E+00 0.162E+00
DAV: 9 -0.913549452217E+02 0.80640E-01 -0.13064E-01 720 0.153E+00 0.421E-01
DAV: 10 -0.913467339720E+02 0.82112E-02 -0.44488E-02 744 0.107E+00 0.302E-01
DAV: 11 -0.913514729789E+02 -0.47390E-02 -0.13084E-02 608 0.592E-01 0.144E-01
DAV: 12 -0.913544827664E+02 -0.30098E-02 -0.27892E-03 623 0.223E-01 0.112E-01
DAV: 13 -0.913582318574E+02 -0.37491E-02 -0.22489E-03 693 0.249E-01 0.482E-02
DAV: 14 -0.913615488099E+02 -0.33170E-02 -0.60180E-04 664 0.131E-01 0.242E-02
DAV: 15 -0.913628910955E+02 -0.13423E-02 -0.11296E-04 704 0.569E-02 0.211E-02
DAV: 16 -0.913641191750E+02 -0.12281E-02 -0.21721E-04 642 0.729E-02 0.155E-02
DAV: 17 -0.913642937026E+02 -0.17453E-03 -0.17408E-05 496 0.356E-02 0.114E-02
DAV: 18 -0.913645281755E+02 -0.23447E-03 -0.88447E-05 615 0.526E-02 0.135E-02
DAV: 19 -0.913645824712E+02 -0.54296E-04 -0.20010E-05 632 0.351E-02 0.409E-03
DAV: 20 -0.913646100164E+02 -0.27545E-04 -0.79379E-06 424 0.143E-02 0.156E-03
DAV: 21 -0.913646336298E+02 -0.23613E-04 -0.37909E-06 445 0.913E-03 0.257E-03
DAV: 22 -0.913646382322E+02 -0.46024E-05 -0.79945E-07 496 0.527E-03
1 F= -.91364638E+02 E0= -.91369380E+02 d E =0.142244E-01