iterations/neb0_image03_iter74_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 0.367731224463E+03 0.36773E+03 -0.14322E+04 632 0.799E+02
DAV: 2 0.299563197061E+01 -0.36474E+03 -0.35213E+03 853 0.195E+02
DAV: 3 -0.955863982219E+02 -0.98582E+02 -0.98263E+02 664 0.116E+02
DAV: 4 -0.100128116889E+03 -0.45417E+01 -0.45322E+01 720 0.287E+01
DAV: 5 -0.100216503940E+03 -0.88387E-01 -0.88351E-01 736 0.360E+00 0.223E+01
DAV: 6 -0.916177083277E+02 0.85988E+01 -0.30683E+01 696 0.296E+01 0.116E+01
DAV: 7 -0.907687320606E+02 0.84898E+00 -0.18428E+00 696 0.639E+00 0.482E+00
DAV: 8 -0.903652615648E+02 0.40347E+00 -0.56782E-01 696 0.432E+00 0.166E+00
DAV: 9 -0.902699269393E+02 0.95335E-01 -0.13961E-01 704 0.174E+00 0.439E-01
DAV: 10 -0.902620448942E+02 0.78820E-02 -0.46569E-02 720 0.116E+00 0.334E-01
DAV: 11 -0.902654827384E+02 -0.34378E-02 -0.68362E-03 621 0.549E-01 0.115E-01
DAV: 12 -0.902682108954E+02 -0.27282E-02 -0.49970E-03 623 0.313E-01 0.121E-01
DAV: 13 -0.902726305294E+02 -0.44196E-02 -0.21982E-03 840 0.386E-01 0.897E-02
DAV: 14 -0.902753312819E+02 -0.27008E-02 -0.89893E-04 653 0.148E-01 0.658E-02
DAV: 15 -0.902778382895E+02 -0.25070E-02 -0.78120E-04 680 0.167E-01 0.282E-02
DAV: 16 -0.902795904687E+02 -0.17522E-02 -0.26658E-04 663 0.855E-02 0.234E-02
DAV: 17 -0.902803845181E+02 -0.79405E-03 -0.75359E-05 613 0.391E-02 0.175E-02
DAV: 18 -0.902807185861E+02 -0.33407E-03 -0.80369E-05 648 0.492E-02 0.779E-03
DAV: 19 -0.902808075914E+02 -0.89005E-04 -0.11076E-05 496 0.213E-02 0.511E-03
DAV: 20 -0.902808720203E+02 -0.64429E-04 -0.91796E-06 431 0.161E-02 0.331E-03
DAV: 21 -0.902809066281E+02 -0.34608E-04 -0.44723E-06 456 0.100E-02 0.152E-03
DAV: 22 -0.902809157019E+02 -0.90738E-05 -0.19220E-06 480 0.806E-03
1 F= -.90280916E+02 E0= -.90289373E+02 d E =0.253719E-01