iterations/neb0_image05_iter150_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 0.362449314361E+03 0.36245E+03 -0.14323E+04 640 0.799E+02
DAV: 2 0.582874021032E+00 -0.36187E+03 -0.34933E+03 877 0.192E+02
DAV: 3 -0.951186149740E+02 -0.95701E+02 -0.95358E+02 661 0.114E+02
DAV: 4 -0.994487323959E+02 -0.43301E+01 -0.43206E+01 728 0.278E+01
DAV: 5 -0.995352451620E+02 -0.86513E-01 -0.86477E-01 736 0.351E+00 0.217E+01
DAV: 6 -0.911768790121E+02 0.83584E+01 -0.30298E+01 672 0.298E+01 0.114E+01
DAV: 7 -0.904167748187E+02 0.76010E+00 -0.17829E+00 736 0.633E+00 0.476E+00
DAV: 8 -0.900454531413E+02 0.37132E+00 -0.53109E-01 720 0.414E+00 0.168E+00
DAV: 9 -0.899521457719E+02 0.93307E-01 -0.12914E-01 728 0.161E+00 0.425E-01
DAV: 10 -0.899434112783E+02 0.87345E-02 -0.53144E-02 712 0.126E+00 0.334E-01
DAV: 11 -0.899474992167E+02 -0.40879E-02 -0.10147E-02 613 0.628E-01 0.123E-01
DAV: 12 -0.899499177597E+02 -0.24185E-02 -0.60816E-03 637 0.380E-01 0.145E-01
DAV: 13 -0.899523465849E+02 -0.24288E-02 -0.20857E-03 858 0.353E-01 0.798E-02
DAV: 14 -0.899558513975E+02 -0.35048E-02 -0.15616E-03 631 0.207E-01 0.733E-02
DAV: 15 -0.899579872640E+02 -0.21359E-02 -0.31458E-04 728 0.108E-01 0.491E-02
DAV: 16 -0.899596896786E+02 -0.17024E-02 -0.83005E-04 666 0.162E-01 0.372E-02
DAV: 17 -0.899604227179E+02 -0.73304E-03 -0.10836E-04 757 0.785E-02 0.257E-02
DAV: 18 -0.899607436884E+02 -0.32097E-03 -0.73481E-05 664 0.458E-02 0.118E-02
DAV: 19 -0.899610382913E+02 -0.29460E-03 -0.43064E-05 588 0.322E-02 0.416E-03
DAV: 20 -0.899610895743E+02 -0.51283E-04 -0.56770E-06 520 0.143E-02 0.449E-03
DAV: 21 -0.899611513245E+02 -0.61750E-04 -0.11413E-05 416 0.142E-02 0.417E-03
DAV: 22 -0.899611579222E+02 -0.65977E-05 -0.36122E-06 496 0.147E-02
1 F= -.89961158E+02 E0= -.89966680E+02 d E =0.165669E-01