iterations/neb0_image08_iter276_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 0.374470228193E+03 0.37447E+03 -0.14285E+04 624 0.799E+02
DAV: 2 0.337634444400E+01 -0.37109E+03 -0.35971E+03 877 0.196E+02
DAV: 3 -0.963995173519E+02 -0.99776E+02 -0.99449E+02 640 0.116E+02
DAV: 4 -0.101226999273E+03 -0.48275E+01 -0.48148E+01 720 0.299E+01
DAV: 5 -0.101322759949E+03 -0.95761E-01 -0.95719E-01 728 0.381E+00 0.227E+01
DAV: 6 -0.926565523150E+02 0.86662E+01 -0.30798E+01 714 0.299E+01 0.119E+01
DAV: 7 -0.917870032856E+02 0.86955E+00 -0.16983E+00 728 0.612E+00 0.480E+00
DAV: 8 -0.914122431410E+02 0.37476E+00 -0.55174E-01 728 0.401E+00 0.161E+00
DAV: 9 -0.913331719299E+02 0.79071E-01 -0.12833E-01 728 0.153E+00 0.420E-01
DAV: 10 -0.913248039397E+02 0.83680E-02 -0.44884E-02 736 0.108E+00 0.304E-01
DAV: 11 -0.913296155605E+02 -0.48116E-02 -0.13784E-02 608 0.601E-01 0.151E-01
DAV: 12 -0.913326900448E+02 -0.30745E-02 -0.29519E-03 626 0.234E-01 0.113E-01
DAV: 13 -0.913364781494E+02 -0.37881E-02 -0.25482E-03 647 0.268E-01 0.554E-02
DAV: 14 -0.913396304939E+02 -0.31523E-02 -0.79587E-04 656 0.164E-01 0.253E-02
DAV: 15 -0.913409754173E+02 -0.13449E-02 -0.15033E-04 688 0.651E-02 0.201E-02
DAV: 16 -0.913420174343E+02 -0.10420E-02 -0.16565E-04 647 0.772E-02 0.122E-02
DAV: 17 -0.913424397702E+02 -0.42234E-03 -0.36247E-05 672 0.327E-02 0.116E-02
DAV: 18 -0.913425901080E+02 -0.15034E-03 -0.20456E-05 544 0.268E-02 0.611E-03
DAV: 19 -0.913427271285E+02 -0.13702E-03 -0.16450E-05 447 0.171E-02 0.320E-03
DAV: 20 -0.913427485873E+02 -0.21459E-04 -0.28557E-06 520 0.723E-03 0.209E-03
DAV: 21 -0.913427686164E+02 -0.20029E-04 -0.34005E-06 403 0.101E-02 0.134E-03
DAV: 22 -0.913427704401E+02 -0.18237E-05 -0.85669E-07 501 0.426E-03
1 F= -.91342770E+02 E0= -.91347383E+02 d E =0.138378E-01