iterations/neb0_image05_iter226_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 0.365411904538E+03 0.36541E+03 -0.14279E+04 624 0.799E+02
DAV: 2 0.289388949340E+01 -0.36252E+03 -0.34919E+03 853 0.194E+02
DAV: 3 -0.953183252412E+02 -0.98212E+02 -0.97864E+02 688 0.116E+02
DAV: 4 -0.997411509668E+02 -0.44228E+01 -0.44120E+01 704 0.275E+01
DAV: 5 -0.998305354449E+02 -0.89384E-01 -0.89339E-01 728 0.347E+00 0.219E+01
DAV: 6 -0.914150502717E+02 0.84155E+01 -0.30524E+01 704 0.297E+01 0.116E+01
DAV: 7 -0.906169846572E+02 0.79807E+00 -0.16976E+00 720 0.634E+00 0.481E+00
DAV: 8 -0.902416257687E+02 0.37536E+00 -0.54816E-01 720 0.433E+00 0.165E+00
DAV: 9 -0.901579888155E+02 0.83637E-01 -0.13195E-01 704 0.169E+00 0.448E-01
DAV: 10 -0.901514372762E+02 0.65515E-02 -0.38149E-02 768 0.118E+00 0.315E-01
DAV: 11 -0.901533364217E+02 -0.18991E-02 -0.49121E-03 608 0.458E-01 0.180E-01
DAV: 12 -0.901563983924E+02 -0.30620E-02 -0.78207E-03 608 0.528E-01 0.127E-01
DAV: 13 -0.901586697596E+02 -0.22714E-02 -0.16676E-03 708 0.280E-01 0.835E-02
DAV: 14 -0.901626849716E+02 -0.40152E-02 -0.15500E-03 639 0.187E-01 0.458E-02
DAV: 15 -0.901653069600E+02 -0.26220E-02 -0.34212E-04 680 0.964E-02 0.437E-02
DAV: 16 -0.901670193763E+02 -0.17124E-02 -0.29833E-04 744 0.111E-01 0.197E-02
DAV: 17 -0.901679214242E+02 -0.90205E-03 -0.17580E-04 669 0.658E-02 0.263E-02
DAV: 18 -0.901681854581E+02 -0.26403E-03 -0.22414E-05 568 0.318E-02 0.174E-02
DAV: 19 -0.901684930699E+02 -0.30761E-03 -0.96802E-05 633 0.522E-02 0.792E-03
DAV: 20 -0.901685683712E+02 -0.75301E-04 -0.78734E-06 496 0.204E-02 0.486E-03
DAV: 21 -0.901686137449E+02 -0.45374E-04 -0.13943E-05 439 0.196E-02 0.288E-03
DAV: 22 -0.901686182061E+02 -0.44611E-05 -0.16110E-06 512 0.771E-03
1 F= -.90168618E+02 E0= -.90177239E+02 d E =0.258636E-01