./iterations/neb0_image06_iter221_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 0.370780253461E+03 0.37078E+03 -0.14351E+04 640 0.799E+02
DAV: 2 0.364649383390E+01 -0.36713E+03 -0.35510E+03 869 0.193E+02
DAV: 3 -0.955458074574E+02 -0.99192E+02 -0.98846E+02 656 0.116E+02
DAV: 4 -0.100321876776E+03 -0.47761E+01 -0.47616E+01 728 0.290E+01
DAV: 5 -0.100420847864E+03 -0.98971E-01 -0.98922E-01 736 0.372E+00 0.226E+01
DAV: 6 -0.918472559844E+02 0.85736E+01 -0.30340E+01 704 0.301E+01 0.118E+01
DAV: 7 -0.910103302667E+02 0.83693E+00 -0.17608E+00 704 0.630E+00 0.481E+00
DAV: 8 -0.906324509134E+02 0.37788E+00 -0.56429E-01 712 0.419E+00 0.166E+00
DAV: 9 -0.905438442005E+02 0.88607E-01 -0.12884E-01 712 0.160E+00 0.428E-01
DAV: 10 -0.905337356470E+02 0.10109E-01 -0.35702E-02 744 0.934E-01 0.285E-01
DAV: 11 -0.905378626694E+02 -0.41270E-02 -0.97134E-03 602 0.512E-01 0.152E-01
DAV: 12 -0.905403656366E+02 -0.25030E-02 -0.27957E-03 632 0.303E-01 0.821E-02
DAV: 13 -0.905442782459E+02 -0.39126E-02 -0.17052E-03 633 0.190E-01 0.695E-02
DAV: 14 -0.905476809748E+02 -0.34027E-02 -0.10489E-03 720 0.233E-01 0.390E-02
DAV: 15 -0.905495168497E+02 -0.18359E-02 -0.29449E-04 714 0.998E-02 0.371E-02
DAV: 16 -0.905511087322E+02 -0.15919E-02 -0.37147E-04 698 0.113E-01 0.183E-02
DAV: 17 -0.905518314240E+02 -0.72269E-03 -0.10923E-04 685 0.579E-02 0.130E-02
DAV: 18 -0.905520516199E+02 -0.22020E-03 -0.21065E-05 544 0.196E-02 0.857E-03
DAV: 19 -0.905521877400E+02 -0.13612E-03 -0.23988E-05 487 0.255E-02 0.211E-03
DAV: 20 -0.905522147003E+02 -0.26960E-04 -0.63076E-06 480 0.127E-02 0.379E-03
DAV: 21 -0.905522243232E+02 -0.96229E-05 -0.13894E-06 407 0.591E-03
1 F= -.90552224E+02 E0= -.90557180E+02 d E =0.148680E-01