iterations/neb0_image05_iter42_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 0.373034823522E+03 0.37303E+03 -0.14313E+04 632 0.799E+02
DAV: 2 0.441513358857E+01 -0.36862E+03 -0.35701E+03 877 0.195E+02
DAV: 3 -0.934232686208E+02 -0.97838E+02 -0.97462E+02 624 0.116E+02
DAV: 4 -0.983590418287E+02 -0.49358E+01 -0.49209E+01 712 0.307E+01
DAV: 5 -0.984642759451E+02 -0.10523E+00 -0.10520E+00 696 0.401E+00 0.221E+01
DAV: 6 -0.901283912138E+02 0.83359E+01 -0.29439E+01 677 0.297E+01 0.114E+01
DAV: 7 -0.892905070693E+02 0.83788E+00 -0.16739E+00 712 0.651E+00 0.470E+00
DAV: 8 -0.889121507179E+02 0.37836E+00 -0.57897E-01 712 0.418E+00 0.164E+00
DAV: 9 -0.888228453973E+02 0.89305E-01 -0.13401E-01 720 0.170E+00 0.450E-01
DAV: 10 -0.888131209359E+02 0.97245E-02 -0.25626E-02 792 0.867E-01 0.291E-01
DAV: 11 -0.888155994048E+02 -0.24785E-02 -0.12680E-02 602 0.730E-01 0.159E-01
DAV: 12 -0.888171962309E+02 -0.15968E-02 -0.27866E-03 784 0.370E-01 0.109E-01
DAV: 13 -0.888218046968E+02 -0.46085E-02 -0.46682E-03 620 0.431E-01 0.108E-01
DAV: 14 -0.888238202970E+02 -0.20156E-02 -0.66873E-04 752 0.211E-01 0.668E-02
DAV: 15 -0.888267526459E+02 -0.29323E-02 -0.19081E-03 631 0.268E-01 0.538E-02
DAV: 16 -0.888286384543E+02 -0.18858E-02 -0.47332E-04 805 0.172E-01 0.241E-02
DAV: 17 -0.888294602489E+02 -0.82179E-03 -0.18844E-04 688 0.720E-02 0.171E-02
DAV: 18 -0.888303631684E+02 -0.90292E-03 -0.13326E-04 638 0.571E-02 0.986E-03
DAV: 19 -0.888305496916E+02 -0.18652E-03 -0.19630E-05 541 0.300E-02 0.676E-03
DAV: 20 -0.888307034101E+02 -0.15372E-03 -0.26547E-05 486 0.284E-02 0.454E-03
DAV: 21 -0.888307369145E+02 -0.33504E-04 -0.62721E-06 512 0.179E-02 0.379E-03
DAV: 22 -0.888307636114E+02 -0.26697E-04 -0.45048E-06 415 0.119E-02 0.225E-03
DAV: 23 -0.888307732383E+02 -0.96269E-05 -0.24167E-06 488 0.869E-03
1 F= -.88830773E+02 E0= -.88834944E+02 d E =0.125133E-01