iterations/neb0_image04_iter178_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 0.363399477618E+03 0.36340E+03 -0.14356E+04 640 0.799E+02
DAV: 2 0.900457832115E+00 -0.36250E+03 -0.34959E+03 863 0.193E+02
DAV: 3 -0.959676061597E+02 -0.96868E+02 -0.96570E+02 661 0.115E+02
DAV: 4 -0.100248396796E+03 -0.42808E+01 -0.42706E+01 696 0.280E+01
DAV: 5 -0.100330031861E+03 -0.81635E-01 -0.81601E-01 736 0.351E+00 0.223E+01
DAV: 6 -0.916266584376E+02 0.87034E+01 -0.31014E+01 682 0.297E+01 0.116E+01
DAV: 7 -0.907646039381E+02 0.86205E+00 -0.17812E+00 704 0.632E+00 0.483E+00
DAV: 8 -0.903558610743E+02 0.40874E+00 -0.56836E-01 704 0.435E+00 0.167E+00
DAV: 9 -0.902635783596E+02 0.92283E-01 -0.12233E-01 720 0.204E+00 0.513E-01
DAV: 10 -0.902521901983E+02 0.11388E-01 -0.33765E-02 720 0.935E-01 0.358E-01
DAV: 11 -0.902542222022E+02 -0.20320E-02 -0.13645E-02 680 0.823E-01 0.293E-01
DAV: 12 -0.902552770190E+02 -0.10548E-02 -0.42213E-03 752 0.631E-01 0.123E-01
DAV: 13 -0.902597543830E+02 -0.44774E-02 -0.37094E-03 620 0.334E-01 0.101E-01
DAV: 14 -0.902629576049E+02 -0.32032E-02 -0.68361E-04 640 0.163E-01 0.558E-02
DAV: 15 -0.902666061482E+02 -0.36485E-02 -0.94946E-04 658 0.180E-01 0.355E-02
DAV: 16 -0.902680943752E+02 -0.14882E-02 -0.16763E-04 792 0.104E-01 0.221E-02
DAV: 17 -0.902697382769E+02 -0.16439E-02 -0.36540E-04 652 0.945E-02 0.257E-02
DAV: 18 -0.902699714120E+02 -0.23314E-03 -0.44689E-05 680 0.565E-02 0.138E-02
DAV: 19 -0.902702993120E+02 -0.32790E-03 -0.15344E-04 638 0.726E-02 0.182E-02
DAV: 20 -0.902703441371E+02 -0.44825E-04 -0.12240E-05 520 0.320E-02 0.122E-02
DAV: 21 -0.902704079686E+02 -0.63832E-04 -0.43675E-05 612 0.376E-02 0.450E-03
DAV: 22 -0.902704509781E+02 -0.43009E-04 -0.52532E-06 444 0.126E-02 0.406E-03
DAV: 23 -0.902704630703E+02 -0.12092E-04 -0.18007E-06 496 0.678E-03 0.478E-03
DAV: 24 -0.902704695612E+02 -0.64909E-05 -0.13241E-06 406 0.875E-03
1 F= -.90270470E+02 E0= -.90278939E+02 d E =0.254073E-01