./iterations/neb0_image08_iter227_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 0.373719615019E+03 0.37372E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.265873860980E+01 -0.37106E+03 -0.35936E+03 877 0.196E+02
DAV: 3 -0.966607730985E+02 -0.99320E+02 -0.99016E+02 656 0.116E+02
DAV: 4 -0.101237267784E+03 -0.45765E+01 -0.45645E+01 720 0.289E+01
DAV: 5 -0.101327890244E+03 -0.90622E-01 -0.90573E-01 728 0.368E+00 0.227E+01
DAV: 6 -0.926530638782E+02 0.86748E+01 -0.30974E+01 714 0.300E+01 0.119E+01
DAV: 7 -0.917904236319E+02 0.86264E+00 -0.17223E+00 720 0.613E+00 0.480E+00
DAV: 8 -0.914159189765E+02 0.37450E+00 -0.54556E-01 720 0.395E+00 0.161E+00
DAV: 9 -0.913364084918E+02 0.79510E-01 -0.13050E-01 728 0.154E+00 0.418E-01
DAV: 10 -0.913285176686E+02 0.78908E-02 -0.44248E-02 752 0.107E+00 0.300E-01
DAV: 11 -0.913333747632E+02 -0.48571E-02 -0.13134E-02 608 0.595E-01 0.144E-01
DAV: 12 -0.913363392111E+02 -0.29644E-02 -0.26936E-03 628 0.224E-01 0.112E-01
DAV: 13 -0.913400599951E+02 -0.37208E-02 -0.24473E-03 639 0.258E-01 0.525E-02
DAV: 14 -0.913431895881E+02 -0.31296E-02 -0.73720E-04 653 0.158E-01 0.248E-02
DAV: 15 -0.913444942509E+02 -0.13047E-02 -0.14037E-04 680 0.642E-02 0.200E-02
DAV: 16 -0.913455739535E+02 -0.10797E-02 -0.16308E-04 636 0.725E-02 0.121E-02
DAV: 17 -0.913459777749E+02 -0.40382E-03 -0.33214E-05 600 0.324E-02 0.118E-02
DAV: 18 -0.913461828986E+02 -0.20512E-03 -0.37321E-05 629 0.338E-02 0.535E-03
DAV: 19 -0.913462631702E+02 -0.80272E-04 -0.80752E-06 456 0.150E-02 0.257E-03
DAV: 20 -0.913462871328E+02 -0.23963E-04 -0.40958E-06 485 0.854E-03 0.181E-03
DAV: 21 -0.913462967154E+02 -0.95826E-05 -0.12438E-06 426 0.496E-03
1 F= -.91346297E+02 E0= -.91351215E+02 d E =0.147549E-01