iterations/neb0_image06_iter168_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 0.370993310638E+03 0.37099E+03 -0.14345E+04 640 0.799E+02
DAV: 2 0.346260977559E+01 -0.36753E+03 -0.35582E+03 877 0.193E+02
DAV: 3 -0.959667536858E+02 -0.99429E+02 -0.99095E+02 682 0.116E+02
DAV: 4 -0.100513076836E+03 -0.45463E+01 -0.45342E+01 704 0.280E+01
DAV: 5 -0.100603202570E+03 -0.90126E-01 -0.90076E-01 736 0.353E+00 0.226E+01
DAV: 6 -0.920319565644E+02 0.85712E+01 -0.30718E+01 717 0.303E+01 0.118E+01
DAV: 7 -0.912099370511E+02 0.82202E+00 -0.17302E+00 720 0.626E+00 0.480E+00
DAV: 8 -0.908356602973E+02 0.37428E+00 -0.53764E-01 728 0.406E+00 0.168E+00
DAV: 9 -0.907459055835E+02 0.89755E-01 -0.13067E-01 728 0.160E+00 0.422E-01
DAV: 10 -0.907359627327E+02 0.99429E-02 -0.35795E-02 776 0.946E-01 0.281E-01
DAV: 11 -0.907399869420E+02 -0.40242E-02 -0.90644E-03 602 0.496E-01 0.140E-01
DAV: 12 -0.907426507200E+02 -0.26638E-02 -0.18270E-03 642 0.252E-01 0.844E-02
DAV: 13 -0.907468061321E+02 -0.41554E-02 -0.19233E-03 633 0.213E-01 0.668E-02
DAV: 14 -0.907494923153E+02 -0.26862E-02 -0.91517E-04 848 0.226E-01 0.358E-02
DAV: 15 -0.907518108512E+02 -0.23185E-02 -0.41039E-04 612 0.984E-02 0.435E-02
DAV: 16 -0.907529192309E+02 -0.11084E-02 -0.26258E-04 752 0.106E-01 0.199E-02
DAV: 17 -0.907538559055E+02 -0.93667E-03 -0.18341E-04 674 0.668E-02 0.153E-02
DAV: 18 -0.907541074523E+02 -0.25155E-03 -0.19896E-05 512 0.244E-02 0.964E-03
DAV: 19 -0.907542620046E+02 -0.15455E-03 -0.34991E-05 556 0.285E-02 0.376E-03
DAV: 20 -0.907542700845E+02 -0.80798E-05 -0.26765E-06 544 0.956E-03
1 F= -.90754270E+02 E0= -.90759442E+02 d E =0.155164E-01