./iterations/neb0_image03_iter93_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 0.367142862034E+03 0.36714E+03 -0.14321E+04 632 0.799E+02
DAV: 2 0.322425808220E+01 -0.36392E+03 -0.35061E+03 845 0.195E+02
DAV: 3 -0.955748879429E+02 -0.98799E+02 -0.98481E+02 661 0.116E+02
DAV: 4 -0.100147952883E+03 -0.45731E+01 -0.45634E+01 712 0.288E+01
DAV: 5 -0.100237121323E+03 -0.89168E-01 -0.89132E-01 736 0.362E+00 0.222E+01
DAV: 6 -0.916466630093E+02 0.85905E+01 -0.30691E+01 696 0.296E+01 0.116E+01
DAV: 7 -0.908054972281E+02 0.84117E+00 -0.18300E+00 704 0.638E+00 0.482E+00
DAV: 8 -0.904037767986E+02 0.40172E+00 -0.56114E-01 688 0.429E+00 0.167E+00
DAV: 9 -0.903080006496E+02 0.95776E-01 -0.13589E-01 696 0.177E+00 0.445E-01
DAV: 10 -0.902998371057E+02 0.81635E-02 -0.43208E-02 728 0.111E+00 0.333E-01
DAV: 11 -0.903029541646E+02 -0.31171E-02 -0.66014E-03 672 0.562E-01 0.114E-01
DAV: 12 -0.903054413174E+02 -0.24872E-02 -0.45494E-03 623 0.299E-01 0.118E-01
DAV: 13 -0.903104336726E+02 -0.49924E-02 -0.30009E-03 840 0.414E-01 0.953E-02
DAV: 14 -0.903130585670E+02 -0.26249E-02 -0.77853E-04 672 0.164E-01 0.667E-02
DAV: 15 -0.903155831551E+02 -0.25246E-02 -0.10857E-03 653 0.198E-01 0.320E-02
DAV: 16 -0.903170673308E+02 -0.14842E-02 -0.16970E-04 680 0.773E-02 0.200E-02
DAV: 17 -0.903181059141E+02 -0.10386E-02 -0.13553E-04 661 0.467E-02 0.112E-02
DAV: 18 -0.903183933377E+02 -0.28742E-03 -0.29249E-05 568 0.290E-02 0.473E-03
DAV: 19 -0.903185377622E+02 -0.14442E-03 -0.12757E-05 458 0.165E-02 0.363E-03
DAV: 20 -0.903185912368E+02 -0.53475E-04 -0.53884E-06 472 0.126E-02 0.206E-03
DAV: 21 -0.903186304385E+02 -0.39202E-04 -0.53939E-06 423 0.940E-03 0.152E-03
DAV: 22 -0.903186355967E+02 -0.51582E-05 -0.11946E-06 528 0.770E-03
1 F= -.90318636E+02 E0= -.90326968E+02 d E =0.249976E-01