./iterations/neb0_image09_iter73_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 0.374972374719E+03 0.37497E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.257174917374E+01 -0.37240E+03 -0.36003E+03 877 0.196E+02
DAV: 3 -0.968861540478E+02 -0.99458E+02 -0.99121E+02 672 0.117E+02
DAV: 4 -0.101266092520E+03 -0.43799E+01 -0.43709E+01 704 0.280E+01
DAV: 5 -0.101351694784E+03 -0.85602E-01 -0.85566E-01 736 0.354E+00 0.227E+01
DAV: 6 -0.926745936414E+02 0.86771E+01 -0.30894E+01 709 0.301E+01 0.119E+01
DAV: 7 -0.918011161111E+02 0.87348E+00 -0.17289E+00 728 0.616E+00 0.480E+00
DAV: 8 -0.914225656933E+02 0.37855E+00 -0.54397E-01 712 0.396E+00 0.163E+00
DAV: 9 -0.913397881993E+02 0.82777E-01 -0.13180E-01 701 0.155E+00 0.425E-01
DAV: 10 -0.913308925429E+02 0.88957E-02 -0.46861E-02 776 0.114E+00 0.306E-01
DAV: 11 -0.913354416878E+02 -0.45491E-02 -0.13733E-02 613 0.614E-01 0.147E-01
DAV: 12 -0.913383287197E+02 -0.28870E-02 -0.30157E-03 628 0.244E-01 0.120E-01
DAV: 13 -0.913422031209E+02 -0.38744E-02 -0.19510E-03 728 0.240E-01 0.443E-02
DAV: 14 -0.913455372196E+02 -0.33341E-02 -0.52310E-04 661 0.125E-01 0.320E-02
DAV: 15 -0.913472248844E+02 -0.16877E-02 -0.15579E-04 672 0.683E-02 0.335E-02
DAV: 16 -0.913484413935E+02 -0.12165E-02 -0.33021E-04 661 0.927E-02 0.202E-02
DAV: 17 -0.913486748011E+02 -0.23341E-03 -0.39537E-05 656 0.474E-02 0.131E-02
DAV: 18 -0.913489052021E+02 -0.23040E-03 -0.46645E-05 567 0.346E-02 0.108E-02
DAV: 19 -0.913489987549E+02 -0.93553E-04 -0.84008E-06 480 0.200E-02 0.558E-03
DAV: 20 -0.913490395086E+02 -0.40754E-04 -0.19229E-05 480 0.250E-02 0.471E-03
DAV: 21 -0.913490599660E+02 -0.20457E-04 -0.38767E-06 447 0.159E-02 0.167E-03
DAV: 22 -0.913490644957E+02 -0.45298E-05 -0.26656E-06 448 0.792E-03
1 F= -.91349064E+02 E0= -.91353912E+02 d E =0.145426E-01