./iterations/neb0_image09_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 0.374220382229E+03 0.37422E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.331468214020E+01 -0.37091E+03 -0.35827E+03 869 0.196E+02
DAV: 3 -0.967654205402E+02 -0.10008E+03 -0.99752E+02 661 0.117E+02
DAV: 4 -0.101286381028E+03 -0.45210E+01 -0.45105E+01 720 0.287E+01
DAV: 5 -0.101374893681E+03 -0.88513E-01 -0.88475E-01 736 0.364E+00 0.227E+01
DAV: 6 -0.926830426184E+02 0.86919E+01 -0.31006E+01 720 0.301E+01 0.119E+01
DAV: 7 -0.918118334342E+02 0.87121E+00 -0.17214E+00 720 0.613E+00 0.480E+00
DAV: 8 -0.914357918240E+02 0.37604E+00 -0.54187E-01 712 0.394E+00 0.163E+00
DAV: 9 -0.913549084669E+02 0.80883E-01 -0.13268E-01 712 0.155E+00 0.422E-01
DAV: 10 -0.913468636882E+02 0.80448E-02 -0.44385E-02 768 0.109E+00 0.301E-01
DAV: 11 -0.913512598793E+02 -0.43962E-02 -0.12186E-02 608 0.577E-01 0.133E-01
DAV: 12 -0.913544345920E+02 -0.31747E-02 -0.27987E-03 623 0.240E-01 0.107E-01
DAV: 13 -0.913579535434E+02 -0.35190E-02 -0.13878E-03 669 0.199E-01 0.426E-02
DAV: 14 -0.913614133391E+02 -0.34598E-02 -0.71281E-04 656 0.152E-01 0.347E-02
DAV: 15 -0.913624979327E+02 -0.10846E-02 -0.11650E-04 720 0.770E-02 0.323E-02
DAV: 16 -0.913639919825E+02 -0.14940E-02 -0.38967E-04 642 0.103E-01 0.212E-02
DAV: 17 -0.913643129572E+02 -0.32097E-03 -0.69073E-05 744 0.628E-02 0.114E-02
DAV: 18 -0.913645579323E+02 -0.24498E-03 -0.38623E-05 573 0.272E-02 0.937E-03
DAV: 19 -0.913646583084E+02 -0.10038E-03 -0.11131E-05 480 0.166E-02 0.427E-03
DAV: 20 -0.913646922407E+02 -0.33932E-04 -0.74263E-06 448 0.168E-02 0.196E-03
DAV: 21 -0.913647103366E+02 -0.18096E-04 -0.40876E-06 445 0.967E-03 0.273E-03
DAV: 22 -0.913647134569E+02 -0.31203E-05 -0.67889E-07 504 0.463E-03
1 F= -.91364713E+02 E0= -.91369557E+02 d E =0.145293E-01