./iterations/neb0_image02_iter219_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 0.366446094758E+03 0.36645E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.130442759555E+01 -0.36514E+03 -0.35416E+03 869 0.195E+02
DAV: 3 -0.956286932619E+02 -0.96933E+02 -0.96598E+02 640 0.116E+02
DAV: 4 -0.100236242881E+03 -0.46075E+01 -0.45964E+01 704 0.293E+01
DAV: 5 -0.100327733490E+03 -0.91491E-01 -0.91451E-01 736 0.370E+00 0.222E+01
DAV: 6 -0.916729733289E+02 0.86548E+01 -0.30961E+01 680 0.299E+01 0.117E+01
DAV: 7 -0.908549676522E+02 0.81801E+00 -0.18262E+00 712 0.637E+00 0.484E+00
DAV: 8 -0.904743372897E+02 0.38063E+00 -0.55373E-01 696 0.431E+00 0.169E+00
DAV: 9 -0.903887962611E+02 0.85541E-01 -0.13579E-01 720 0.167E+00 0.428E-01
DAV: 10 -0.903838774755E+02 0.49188E-02 -0.48613E-02 704 0.125E+00 0.329E-01
DAV: 11 -0.903877052502E+02 -0.38278E-02 -0.80823E-03 624 0.611E-01 0.116E-01
DAV: 12 -0.903905406745E+02 -0.28354E-02 -0.60871E-03 640 0.386E-01 0.130E-01
DAV: 13 -0.903932703204E+02 -0.27296E-02 -0.17954E-03 864 0.326E-01 0.824E-02
DAV: 14 -0.903964194480E+02 -0.31491E-02 -0.12676E-03 621 0.163E-01 0.678E-02
DAV: 15 -0.903982671209E+02 -0.18477E-02 -0.33186E-04 696 0.109E-01 0.479E-02
DAV: 16 -0.903997082834E+02 -0.14412E-02 -0.92010E-04 677 0.174E-01 0.396E-02
DAV: 17 -0.904003312785E+02 -0.62300E-03 -0.16526E-04 840 0.882E-02 0.216E-02
DAV: 18 -0.904005550904E+02 -0.22381E-03 -0.51142E-05 688 0.357E-02 0.860E-03
DAV: 19 -0.904007737360E+02 -0.21865E-03 -0.35392E-05 574 0.279E-02 0.485E-03
DAV: 20 -0.904008057249E+02 -0.31989E-04 -0.30029E-06 512 0.117E-02 0.433E-03
DAV: 21 -0.904008632473E+02 -0.57522E-04 -0.11291E-05 417 0.168E-02 0.342E-03
DAV: 22 -0.904008684765E+02 -0.52292E-05 -0.25453E-06 504 0.981E-03
1 F= -.90400868E+02 E0= -.90407848E+02 d E =0.209378E-01