iterations/neb0_image06_iter252_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 0.373656947179E+03 0.37366E+03 -0.14317E+04 632 0.799E+02
DAV: 2 0.501257932762E+01 -0.36864E+03 -0.35620E+03 855 0.194E+02
DAV: 3 -0.951668904361E+02 -0.10018E+03 -0.99795E+02 672 0.117E+02
DAV: 4 -0.998916488610E+02 -0.47248E+01 -0.47098E+01 728 0.285E+01
DAV: 5 -0.999900312235E+02 -0.98382E-01 -0.98333E-01 720 0.364E+00 0.225E+01
DAV: 6 -0.914519118609E+02 0.85381E+01 -0.30171E+01 685 0.303E+01 0.117E+01
DAV: 7 -0.906295281180E+02 0.82238E+00 -0.17269E+00 720 0.634E+00 0.480E+00
DAV: 8 -0.902556352865E+02 0.37389E+00 -0.55984E-01 720 0.416E+00 0.167E+00
DAV: 9 -0.901660416518E+02 0.89594E-01 -0.12826E-01 720 0.161E+00 0.432E-01
DAV: 10 -0.901562537960E+02 0.97879E-02 -0.34452E-02 728 0.917E-01 0.286E-01
DAV: 11 -0.901602455280E+02 -0.39917E-02 -0.10581E-02 605 0.568E-01 0.166E-01
DAV: 12 -0.901619892505E+02 -0.17437E-02 -0.34471E-03 640 0.351E-01 0.893E-02
DAV: 13 -0.901662685377E+02 -0.42793E-02 -0.23485E-03 614 0.242E-01 0.821E-02
DAV: 14 -0.901685592736E+02 -0.22907E-02 -0.58174E-04 840 0.179E-01 0.328E-02
DAV: 15 -0.901714990043E+02 -0.29397E-02 -0.52033E-04 627 0.114E-01 0.351E-02
DAV: 16 -0.901732066309E+02 -0.17076E-02 -0.24596E-04 823 0.100E-01 0.191E-02
DAV: 17 -0.901740021182E+02 -0.79549E-03 -0.14040E-04 669 0.569E-02 0.163E-02
DAV: 18 -0.901742339370E+02 -0.23182E-03 -0.27596E-05 557 0.308E-02 0.864E-03
DAV: 19 -0.901743768721E+02 -0.14294E-03 -0.31666E-05 516 0.297E-02 0.463E-03
DAV: 20 -0.901744098482E+02 -0.32976E-04 -0.35417E-06 480 0.119E-02 0.310E-03
DAV: 21 -0.901744289536E+02 -0.19105E-04 -0.39360E-06 404 0.104E-02 0.985E-04
DAV: 22 -0.901744351197E+02 -0.61660E-05 -0.10223E-06 469 0.445E-03
1 F= -.90174435E+02 E0= -.90178665E+02 d E =0.126903E-01