./iterations/neb0_image08_iter295_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 0.374771880774E+03 0.37477E+03 -0.14285E+04 624 0.799E+02
DAV: 2 0.368745194738E+01 -0.37108E+03 -0.35963E+03 877 0.196E+02
DAV: 3 -0.965093829510E+02 -0.10020E+03 -0.99848E+02 656 0.117E+02
DAV: 4 -0.101240801042E+03 -0.47314E+01 -0.47203E+01 704 0.295E+01
DAV: 5 -0.101334112943E+03 -0.93312E-01 -0.93273E-01 736 0.376E+00 0.227E+01
DAV: 6 -0.926493866928E+02 0.86847E+01 -0.30966E+01 714 0.301E+01 0.119E+01
DAV: 7 -0.917855750882E+02 0.86381E+00 -0.17153E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.914117538756E+02 0.37382E+00 -0.53374E-01 728 0.394E+00 0.164E+00
DAV: 9 -0.913283772724E+02 0.83377E-01 -0.13023E-01 736 0.153E+00 0.423E-01
DAV: 10 -0.913194620671E+02 0.89152E-02 -0.45045E-02 741 0.108E+00 0.302E-01
DAV: 11 -0.913245242782E+02 -0.50622E-02 -0.14576E-02 608 0.624E-01 0.162E-01
DAV: 12 -0.913273085293E+02 -0.27843E-02 -0.27623E-03 628 0.227E-01 0.116E-01
DAV: 13 -0.913312972811E+02 -0.39888E-02 -0.32098E-03 628 0.295E-01 0.635E-02
DAV: 14 -0.913341823512E+02 -0.28851E-02 -0.82419E-04 688 0.170E-01 0.234E-02
DAV: 15 -0.913361231496E+02 -0.19408E-02 -0.22956E-04 640 0.668E-02 0.189E-02
DAV: 16 -0.913369636290E+02 -0.84048E-03 -0.94809E-05 685 0.598E-02 0.110E-02
DAV: 17 -0.913375112103E+02 -0.54758E-03 -0.72057E-05 637 0.357E-02 0.106E-02
DAV: 18 -0.913376005016E+02 -0.89291E-04 -0.89982E-06 520 0.246E-02 0.454E-03
DAV: 19 -0.913377250052E+02 -0.12450E-03 -0.30457E-05 521 0.267E-02 0.636E-03
DAV: 20 -0.913377305695E+02 -0.55644E-05 -0.17127E-06 520 0.111E-02
1 F= -.91337731E+02 E0= -.91342562E+02 d E =0.144938E-01