iterations/neb0_image08_iter130_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 0.374394949741E+03 0.37439E+03 -0.14276E+04 624 0.799E+02
DAV: 2 0.394203352174E+01 -0.37045E+03 -0.35670E+03 861 0.196E+02
DAV: 3 -0.966728792827E+02 -0.10061E+03 -0.10027E+03 677 0.117E+02
DAV: 4 -0.101156004366E+03 -0.44831E+01 -0.44718E+01 704 0.280E+01
DAV: 5 -0.101245390522E+03 -0.89386E-01 -0.89349E-01 736 0.355E+00 0.226E+01
DAV: 6 -0.926250720132E+02 0.86203E+01 -0.30841E+01 714 0.302E+01 0.118E+01
DAV: 7 -0.917643112272E+02 0.86076E+00 -0.16993E+00 728 0.615E+00 0.479E+00
DAV: 8 -0.913871242396E+02 0.37719E+00 -0.55639E-01 704 0.402E+00 0.162E+00
DAV: 9 -0.913055315043E+02 0.81593E-01 -0.13050E-01 720 0.156E+00 0.424E-01
DAV: 10 -0.912967553973E+02 0.87761E-02 -0.45638E-02 744 0.111E+00 0.303E-01
DAV: 11 -0.913015759278E+02 -0.48205E-02 -0.13874E-02 605 0.609E-01 0.156E-01
DAV: 12 -0.913043864788E+02 -0.28106E-02 -0.28572E-03 623 0.255E-01 0.108E-01
DAV: 13 -0.913077987680E+02 -0.34123E-02 -0.14628E-03 655 0.201E-01 0.476E-02
DAV: 14 -0.913112912829E+02 -0.34925E-02 -0.85457E-04 648 0.193E-01 0.389E-02
DAV: 15 -0.913125454699E+02 -0.12542E-02 -0.26654E-04 672 0.103E-01 0.398E-02
DAV: 16 -0.913136782563E+02 -0.11328E-02 -0.31521E-04 656 0.100E-01 0.165E-02
DAV: 17 -0.913143078514E+02 -0.62960E-03 -0.75934E-05 653 0.503E-02 0.149E-02
DAV: 18 -0.913145534214E+02 -0.24557E-03 -0.43997E-05 600 0.357E-02 0.115E-02
DAV: 19 -0.913146801438E+02 -0.12672E-03 -0.18404E-05 464 0.227E-02 0.569E-03
DAV: 20 -0.913147152973E+02 -0.35153E-04 -0.74044E-06 464 0.137E-02 0.290E-03
DAV: 21 -0.913147422588E+02 -0.26961E-04 -0.55350E-06 409 0.144E-02 0.174E-03
DAV: 22 -0.913147478266E+02 -0.55678E-05 -0.18356E-06 480 0.627E-03
1 F= -.91314748E+02 E0= -.91319720E+02 d E =0.149178E-01