iterations/neb0_image09_iter155_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 0.374147286954E+03 0.37415E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.332691334569E+01 -0.37082E+03 -0.35800E+03 869 0.196E+02
DAV: 3 -0.967009606840E+02 -0.10003E+03 -0.99695E+02 661 0.117E+02
DAV: 4 -0.101251211803E+03 -0.45503E+01 -0.45396E+01 720 0.287E+01
DAV: 5 -0.101340358774E+03 -0.89147E-01 -0.89106E-01 728 0.365E+00 0.227E+01
DAV: 6 -0.926708111464E+02 0.86695E+01 -0.30971E+01 717 0.301E+01 0.119E+01
DAV: 7 -0.918044816513E+02 0.86633E+00 -0.17287E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.914282316721E+02 0.37625E+00 -0.54284E-01 712 0.395E+00 0.163E+00
DAV: 9 -0.913462376486E+02 0.81994E-01 -0.13160E-01 712 0.156E+00 0.424E-01
DAV: 10 -0.913377762663E+02 0.84614E-02 -0.43668E-02 768 0.110E+00 0.298E-01
DAV: 11 -0.913420307190E+02 -0.42545E-02 -0.11407E-02 616 0.559E-01 0.131E-01
DAV: 12 -0.913451923821E+02 -0.31617E-02 -0.27666E-03 634 0.256E-01 0.105E-01
DAV: 13 -0.913486368445E+02 -0.34445E-02 -0.10135E-03 664 0.171E-01 0.501E-02
DAV: 14 -0.913520821534E+02 -0.34453E-02 -0.91801E-04 664 0.173E-01 0.390E-02
DAV: 15 -0.913534126146E+02 -0.13305E-02 -0.18268E-04 752 0.945E-02 0.359E-02
DAV: 16 -0.913548501998E+02 -0.14376E-02 -0.31501E-04 642 0.893E-02 0.164E-02
DAV: 17 -0.913553543966E+02 -0.50420E-03 -0.76348E-05 744 0.558E-02 0.147E-02
DAV: 18 -0.913556360388E+02 -0.28164E-03 -0.52134E-05 629 0.362E-02 0.743E-03
DAV: 19 -0.913556900546E+02 -0.54016E-04 -0.55874E-06 504 0.123E-02 0.467E-03
DAV: 20 -0.913557255303E+02 -0.35476E-04 -0.57944E-06 423 0.144E-02 0.169E-03
DAV: 21 -0.913557474527E+02 -0.21922E-04 -0.32143E-06 448 0.833E-03 0.188E-03
DAV: 22 -0.913557530632E+02 -0.56105E-05 -0.79776E-07 463 0.391E-03
1 F= -.91355753E+02 E0= -.91360803E+02 d E =0.151495E-01