./iterations/neb0_image04_iter160_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 0.364196852045E+03 0.36420E+03 -0.14357E+04 640 0.799E+02
DAV: 2 0.924458579752E+00 -0.36327E+03 -0.35044E+03 877 0.194E+02
DAV: 3 -0.958689259163E+02 -0.96793E+02 -0.96477E+02 658 0.115E+02
DAV: 4 -0.100182473341E+03 -0.43135E+01 -0.43039E+01 712 0.281E+01
DAV: 5 -0.100263955005E+03 -0.81482E-01 -0.81450E-01 736 0.351E+00 0.223E+01
DAV: 6 -0.915695010558E+02 0.86945E+01 -0.30841E+01 688 0.298E+01 0.117E+01
DAV: 7 -0.907131377508E+02 0.85636E+00 -0.17963E+00 712 0.627E+00 0.482E+00
DAV: 8 -0.903093276046E+02 0.40381E+00 -0.55314E-01 704 0.419E+00 0.165E+00
DAV: 9 -0.902127500013E+02 0.96578E-01 -0.13299E-01 712 0.166E+00 0.438E-01
DAV: 10 -0.902038997115E+02 0.88503E-02 -0.49106E-02 704 0.116E+00 0.337E-01
DAV: 11 -0.902083296366E+02 -0.44299E-02 -0.86202E-03 624 0.618E-01 0.120E-01
DAV: 12 -0.902109269755E+02 -0.25973E-02 -0.44365E-03 639 0.322E-01 0.112E-01
DAV: 13 -0.902149054094E+02 -0.39784E-02 -0.99351E-04 645 0.201E-01 0.896E-02
DAV: 14 -0.902185580884E+02 -0.36527E-02 -0.20462E-03 650 0.232E-01 0.734E-02
DAV: 15 -0.902198399963E+02 -0.12819E-02 -0.25785E-04 952 0.119E-01 0.440E-02
DAV: 16 -0.902217316145E+02 -0.18916E-02 -0.49687E-04 636 0.122E-01 0.214E-02
DAV: 17 -0.902228486341E+02 -0.11170E-02 -0.10331E-04 671 0.463E-02 0.227E-02
DAV: 18 -0.902235204020E+02 -0.67177E-03 -0.12462E-04 658 0.633E-02 0.784E-03
DAV: 19 -0.902236642260E+02 -0.14382E-03 -0.43751E-05 688 0.341E-02 0.130E-02
DAV: 20 -0.902237146795E+02 -0.50454E-04 -0.64017E-06 464 0.200E-02 0.786E-03
DAV: 21 -0.902237488047E+02 -0.34125E-04 -0.13267E-05 456 0.211E-02 0.194E-03
DAV: 22 -0.902237795818E+02 -0.30777E-04 -0.43230E-06 437 0.106E-02 0.864E-04
DAV: 23 -0.902237851828E+02 -0.56010E-05 -0.10245E-06 504 0.395E-03
1 F= -.90223785E+02 E0= -.90232487E+02 d E =0.261069E-01