./iterations/neb0_image08_iter251_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 0.374454627657E+03 0.37445E+03 -0.14285E+04 624 0.799E+02
DAV: 2 0.389569559682E+01 -0.37056E+03 -0.35815E+03 869 0.196E+02
DAV: 3 -0.967740353482E+02 -0.10067E+03 -0.10035E+03 669 0.117E+02
DAV: 4 -0.101288303838E+03 -0.45143E+01 -0.45018E+01 720 0.285E+01
DAV: 5 -0.101375406535E+03 -0.87103E-01 -0.87053E-01 736 0.359E+00 0.228E+01
DAV: 6 -0.926646921519E+02 0.87107E+01 -0.31034E+01 725 0.301E+01 0.119E+01
DAV: 7 -0.917928872770E+02 0.87180E+00 -0.17265E+00 728 0.613E+00 0.480E+00
DAV: 8 -0.914173519975E+02 0.37554E+00 -0.54071E-01 720 0.395E+00 0.162E+00
DAV: 9 -0.913373146305E+02 0.80037E-01 -0.13284E-01 736 0.155E+00 0.420E-01
DAV: 10 -0.913292495051E+02 0.80651E-02 -0.46033E-02 736 0.111E+00 0.307E-01
DAV: 11 -0.913342082570E+02 -0.49588E-02 -0.15506E-02 616 0.647E-01 0.161E-01
DAV: 12 -0.913369540749E+02 -0.27458E-02 -0.28490E-03 626 0.233E-01 0.114E-01
DAV: 13 -0.913406493943E+02 -0.36953E-02 -0.28905E-03 642 0.279E-01 0.577E-02
DAV: 14 -0.913437171223E+02 -0.30677E-02 -0.86140E-04 672 0.172E-01 0.259E-02
DAV: 15 -0.913452121168E+02 -0.14950E-02 -0.17667E-04 656 0.703E-02 0.183E-02
DAV: 16 -0.913462677101E+02 -0.10556E-02 -0.13112E-04 661 0.627E-02 0.977E-03
DAV: 17 -0.913467444443E+02 -0.47673E-03 -0.43009E-05 600 0.280E-02 0.100E-02
DAV: 18 -0.913469085820E+02 -0.16414E-03 -0.19080E-05 512 0.276E-02 0.394E-03
DAV: 19 -0.913469969278E+02 -0.88346E-04 -0.14832E-05 466 0.165E-02 0.416E-03
DAV: 20 -0.913470083619E+02 -0.11434E-04 -0.16951E-06 528 0.913E-03 0.217E-03
DAV: 21 -0.913470242869E+02 -0.15925E-04 -0.54768E-06 406 0.146E-02 0.307E-03
DAV: 22 -0.913470257044E+02 -0.14175E-05 -0.10049E-06 477 0.696E-03
1 F= -.91347026E+02 E0= -.91352100E+02 d E =0.152239E-01