iterations/neb0_image07_iter27_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 0.372929242508E+03 0.37293E+03 -0.14307E+04 632 0.799E+02
DAV: 2 0.343251431874E+01 -0.36950E+03 -0.35667E+03 861 0.195E+02
DAV: 3 -0.960396311367E+02 -0.99472E+02 -0.99129E+02 664 0.116E+02
DAV: 4 -0.100451938799E+03 -0.44123E+01 -0.44005E+01 728 0.284E+01
DAV: 5 -0.100537911696E+03 -0.85973E-01 -0.85947E-01 736 0.357E+00 0.226E+01
DAV: 6 -0.918488005353E+02 0.86891E+01 -0.30660E+01 696 0.304E+01 0.118E+01
DAV: 7 -0.909836658487E+02 0.86513E+00 -0.17004E+00 720 0.627E+00 0.479E+00
DAV: 8 -0.906066387044E+02 0.37703E+00 -0.55919E-01 704 0.408E+00 0.166E+00
DAV: 9 -0.905194612248E+02 0.87177E-01 -0.13231E-01 704 0.157E+00 0.433E-01
DAV: 10 -0.905089036761E+02 0.10558E-01 -0.39874E-02 720 0.100E+00 0.292E-01
DAV: 11 -0.905135412671E+02 -0.46376E-02 -0.11794E-02 602 0.581E-01 0.166E-01
DAV: 12 -0.905155347555E+02 -0.19935E-02 -0.19164E-03 664 0.228E-01 0.106E-01
DAV: 13 -0.905203765524E+02 -0.48418E-02 -0.29881E-03 625 0.287E-01 0.643E-02
DAV: 14 -0.905221956072E+02 -0.18191E-02 -0.43713E-04 704 0.164E-01 0.322E-02
DAV: 15 -0.905254615506E+02 -0.32659E-02 -0.80678E-04 612 0.150E-01 0.385E-02
DAV: 16 -0.905258630697E+02 -0.40152E-03 -0.68120E-05 784 0.690E-02 0.248E-02
DAV: 17 -0.905267900132E+02 -0.92694E-03 -0.21151E-04 699 0.904E-02 0.125E-02
DAV: 18 -0.905272828910E+02 -0.49288E-03 -0.48016E-05 682 0.338E-02 0.133E-02
DAV: 19 -0.905274743821E+02 -0.19149E-03 -0.16671E-05 536 0.161E-02 0.982E-03
DAV: 20 -0.905275499031E+02 -0.75521E-04 -0.31621E-05 644 0.381E-02 0.496E-03
DAV: 21 -0.905275729605E+02 -0.23057E-04 -0.59004E-06 466 0.139E-02 0.535E-03
DAV: 22 -0.905275839101E+02 -0.10950E-04 -0.26365E-06 432 0.978E-03 0.269E-03
DAV: 23 -0.905275863708E+02 -0.24607E-05 -0.14133E-06 482 0.709E-03
1 F= -.90527586E+02 E0= -.90532661E+02 d E =0.152238E-01