./iterations/neb0_image08_iter141_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 0.375085229893E+03 0.37509E+03 -0.14284E+04 624 0.799E+02
DAV: 2 0.348322209137E+01 -0.37160E+03 -0.35927E+03 869 0.196E+02
DAV: 3 -0.967335445278E+02 -0.10022E+03 -0.99895E+02 669 0.117E+02
DAV: 4 -0.101230961721E+03 -0.44974E+01 -0.44863E+01 728 0.283E+01
DAV: 5 -0.101319236969E+03 -0.88275E-01 -0.88243E-01 728 0.359E+00 0.227E+01
DAV: 6 -0.926474899851E+02 0.86717E+01 -0.30832E+01 698 0.301E+01 0.119E+01
DAV: 7 -0.917736938876E+02 0.87380E+00 -0.17211E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.913950469572E+02 0.37865E+00 -0.55452E-01 720 0.401E+00 0.161E+00
DAV: 9 -0.913148775224E+02 0.80169E-01 -0.13194E-01 704 0.157E+00 0.423E-01
DAV: 10 -0.913067003110E+02 0.81772E-02 -0.46115E-02 768 0.113E+00 0.305E-01
DAV: 11 -0.913111911217E+02 -0.44908E-02 -0.12613E-02 608 0.588E-01 0.136E-01
DAV: 12 -0.913142552294E+02 -0.30641E-02 -0.29826E-03 622 0.257E-01 0.110E-01
DAV: 13 -0.913176602348E+02 -0.34050E-02 -0.11047E-03 661 0.188E-01 0.482E-02
DAV: 14 -0.913209604505E+02 -0.33002E-02 -0.88559E-04 664 0.166E-01 0.411E-02
DAV: 15 -0.913223813379E+02 -0.14209E-02 -0.18234E-04 736 0.910E-02 0.410E-02
DAV: 16 -0.913237294868E+02 -0.13481E-02 -0.40491E-04 639 0.101E-01 0.183E-02
DAV: 17 -0.913241666045E+02 -0.43712E-03 -0.59584E-05 680 0.517E-02 0.146E-02
DAV: 18 -0.913244504844E+02 -0.28388E-03 -0.52530E-05 623 0.337E-02 0.956E-03
DAV: 19 -0.913245065572E+02 -0.56073E-04 -0.61635E-06 496 0.156E-02 0.452E-03
DAV: 20 -0.913245454872E+02 -0.38930E-04 -0.81673E-06 415 0.168E-02 0.186E-03
DAV: 21 -0.913245623272E+02 -0.16840E-04 -0.25581E-06 445 0.738E-03 0.181E-03
DAV: 22 -0.913245660632E+02 -0.37360E-05 -0.58793E-07 458 0.402E-03
1 F= -.91324566E+02 E0= -.91329448E+02 d E =0.146444E-01