./iterations/neb0_image09_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 0.374086711031E+03 0.37409E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.328176516140E+01 -0.37080E+03 -0.35801E+03 869 0.196E+02
DAV: 3 -0.966087015488E+02 -0.99890E+02 -0.99559E+02 653 0.117E+02
DAV: 4 -0.101233719210E+03 -0.46250E+01 -0.46142E+01 720 0.291E+01
DAV: 5 -0.101325285929E+03 -0.91567E-01 -0.91526E-01 728 0.371E+00 0.227E+01
DAV: 6 -0.926681685911E+02 0.86571E+01 -0.30943E+01 717 0.301E+01 0.119E+01
DAV: 7 -0.918062842044E+02 0.86188E+00 -0.17238E+00 728 0.615E+00 0.479E+00
DAV: 8 -0.914313933078E+02 0.37489E+00 -0.54062E-01 712 0.395E+00 0.163E+00
DAV: 9 -0.913495636962E+02 0.81830E-01 -0.13153E-01 712 0.156E+00 0.423E-01
DAV: 10 -0.913412338077E+02 0.83299E-02 -0.44078E-02 776 0.110E+00 0.300E-01
DAV: 11 -0.913454901581E+02 -0.42564E-02 -0.11768E-02 616 0.566E-01 0.132E-01
DAV: 12 -0.913486190512E+02 -0.31289E-02 -0.27792E-03 634 0.245E-01 0.105E-01
DAV: 13 -0.913522234153E+02 -0.36044E-02 -0.11726E-03 661 0.183E-01 0.456E-02
DAV: 14 -0.913556069351E+02 -0.33835E-02 -0.75425E-04 656 0.157E-01 0.357E-02
DAV: 15 -0.913568694261E+02 -0.12625E-02 -0.14560E-04 752 0.810E-02 0.335E-02
DAV: 16 -0.913583277878E+02 -0.14584E-02 -0.31881E-04 647 0.897E-02 0.158E-02
DAV: 17 -0.913587639042E+02 -0.43612E-03 -0.61850E-05 688 0.535E-02 0.124E-02
DAV: 18 -0.913590058699E+02 -0.24197E-03 -0.40864E-05 565 0.290E-02 0.893E-03
DAV: 19 -0.913590635849E+02 -0.57715E-04 -0.79726E-06 496 0.153E-02 0.452E-03
DAV: 20 -0.913590932274E+02 -0.29643E-04 -0.57758E-06 429 0.158E-02 0.147E-03
DAV: 21 -0.913591129081E+02 -0.19681E-04 -0.38913E-06 439 0.928E-03 0.252E-03
DAV: 22 -0.913591153437E+02 -0.24356E-05 -0.53338E-07 512 0.426E-03
1 F= -.91359115E+02 E0= -.91363917E+02 d E =0.144045E-01