iterations/neb0_image09_iter199_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 0.373948019179E+03 0.37395E+03 -0.14279E+04 624 0.799E+02
DAV: 2 0.324446254696E+01 -0.37070E+03 -0.35804E+03 869 0.196E+02
DAV: 3 -0.966305437534E+02 -0.99875E+02 -0.99543E+02 653 0.117E+02
DAV: 4 -0.101247415679E+03 -0.46169E+01 -0.46061E+01 720 0.291E+01
DAV: 5 -0.101338601834E+03 -0.91186E-01 -0.91144E-01 720 0.370E+00 0.227E+01
DAV: 6 -0.926726169448E+02 0.86660E+01 -0.30995E+01 722 0.301E+01 0.119E+01
DAV: 7 -0.918083285548E+02 0.86429E+00 -0.17142E+00 720 0.613E+00 0.479E+00
DAV: 8 -0.914333610513E+02 0.37497E+00 -0.54168E-01 712 0.394E+00 0.163E+00
DAV: 9 -0.913516687951E+02 0.81692E-01 -0.13149E-01 712 0.155E+00 0.422E-01
DAV: 10 -0.913433842375E+02 0.82846E-02 -0.44126E-02 776 0.109E+00 0.299E-01
DAV: 11 -0.913478998378E+02 -0.45156E-02 -0.12351E-02 616 0.579E-01 0.139E-01
DAV: 12 -0.913509615836E+02 -0.30617E-02 -0.27861E-03 623 0.245E-01 0.103E-01
DAV: 13 -0.913544757508E+02 -0.35142E-02 -0.13253E-03 658 0.189E-01 0.447E-02
DAV: 14 -0.913582046331E+02 -0.37289E-02 -0.86182E-04 656 0.182E-01 0.374E-02
DAV: 15 -0.913590483779E+02 -0.84374E-03 -0.14135E-04 720 0.845E-02 0.336E-02
DAV: 16 -0.913603824874E+02 -0.13341E-02 -0.38921E-04 666 0.112E-01 0.211E-02
DAV: 17 -0.913608796738E+02 -0.49719E-03 -0.64289E-05 680 0.572E-02 0.137E-02
DAV: 18 -0.913611315133E+02 -0.25184E-03 -0.60422E-05 656 0.392E-02 0.109E-02
DAV: 19 -0.913612441303E+02 -0.11262E-03 -0.14434E-05 472 0.210E-02 0.484E-03
DAV: 20 -0.913612860772E+02 -0.41947E-04 -0.67229E-06 448 0.133E-02 0.286E-03
DAV: 21 -0.913613081861E+02 -0.22109E-04 -0.57765E-06 442 0.140E-02 0.228E-03
DAV: 22 -0.913613138700E+02 -0.56840E-05 -0.13463E-06 472 0.574E-03
1 F= -.91361314E+02 E0= -.91366185E+02 d E =0.146123E-01