iterations/neb0_image07_iter166_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 0.370776685928E+03 0.37078E+03 -0.14317E+04 632 0.799E+02
DAV: 2 0.319793779428E+01 -0.36758E+03 -0.35493E+03 869 0.194E+02
DAV: 3 -0.963339751077E+02 -0.99532E+02 -0.99216E+02 672 0.116E+02
DAV: 4 -0.101006098715E+03 -0.46721E+01 -0.46599E+01 688 0.287E+01
DAV: 5 -0.101102933762E+03 -0.96835E-01 -0.96763E-01 736 0.370E+00 0.225E+01
DAV: 6 -0.925394197930E+02 0.85635E+01 -0.30498E+01 733 0.299E+01 0.118E+01
DAV: 7 -0.916933051200E+02 0.84611E+00 -0.17244E+00 720 0.615E+00 0.478E+00
DAV: 8 -0.913233588519E+02 0.36995E+00 -0.52407E-01 728 0.393E+00 0.164E+00
DAV: 9 -0.912413476628E+02 0.82011E-01 -0.13122E-01 728 0.158E+00 0.423E-01
DAV: 10 -0.912328272451E+02 0.85204E-02 -0.41198E-02 765 0.108E+00 0.290E-01
DAV: 11 -0.912369633093E+02 -0.41361E-02 -0.10895E-02 608 0.552E-01 0.133E-01
DAV: 12 -0.912398678599E+02 -0.29046E-02 -0.26509E-03 650 0.273E-01 0.920E-02
DAV: 13 -0.912435457364E+02 -0.36779E-02 -0.10355E-03 642 0.166E-01 0.559E-02
DAV: 14 -0.912463333525E+02 -0.27876E-02 -0.56391E-04 717 0.160E-01 0.323E-02
DAV: 15 -0.912481576810E+02 -0.18243E-02 -0.23514E-04 704 0.977E-02 0.323E-02
DAV: 16 -0.912496056514E+02 -0.14480E-02 -0.19399E-04 666 0.640E-02 0.112E-02
DAV: 17 -0.912501447251E+02 -0.53907E-03 -0.60836E-05 688 0.402E-02 0.113E-02
DAV: 18 -0.912504830218E+02 -0.33830E-03 -0.44656E-05 572 0.295E-02 0.414E-03
DAV: 19 -0.912505219741E+02 -0.38952E-04 -0.31423E-06 504 0.977E-03 0.225E-03
DAV: 20 -0.912505750486E+02 -0.53074E-04 -0.80444E-06 403 0.138E-02 0.210E-03
DAV: 21 -0.912505786643E+02 -0.36157E-05 -0.11601E-06 512 0.626E-03
1 F= -.91250579E+02 E0= -.91256422E+02 d E =0.175305E-01