iterations/neb0_image07_iter12_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 0.365400318877E+03 0.36540E+03 -0.14223E+04 624 0.799E+02
DAV: 2 0.246640440538E+01 -0.36293E+03 -0.35075E+03 874 0.194E+02
DAV: 3 -0.953978324731E+02 -0.97864E+02 -0.97477E+02 701 0.115E+02
DAV: 4 -0.995126106024E+02 -0.41148E+01 -0.41000E+01 736 0.263E+01
DAV: 5 -0.995940560341E+02 -0.81445E-01 -0.81410E-01 736 0.331E+00 0.218E+01
DAV: 6 -0.909752091654E+02 0.86188E+01 -0.31352E+01 704 0.303E+01 0.114E+01
DAV: 7 -0.901416455475E+02 0.83356E+00 -0.16561E+00 720 0.681E+00 0.485E+00
DAV: 8 -0.897616134456E+02 0.38003E+00 -0.72926E-01 712 0.463E+00 0.168E+00
DAV: 9 -0.896780775324E+02 0.83536E-01 -0.14230E-01 717 0.184E+00 0.524E-01
DAV: 10 -0.896679921727E+02 0.10085E-01 -0.23174E-02 728 0.725E-01 0.287E-01
DAV: 11 -0.896700341250E+02 -0.20420E-02 -0.12523E-02 608 0.688E-01 0.166E-01
DAV: 12 -0.896717831268E+02 -0.17490E-02 -0.29859E-03 690 0.382E-01 0.106E-01
DAV: 13 -0.896764391464E+02 -0.46560E-02 -0.35739E-03 617 0.329E-01 0.104E-01
DAV: 14 -0.896788021495E+02 -0.23630E-02 -0.13163E-03 661 0.217E-01 0.537E-02
DAV: 15 -0.896817071533E+02 -0.29050E-02 -0.16286E-03 725 0.262E-01 0.645E-02
DAV: 16 -0.896828752610E+02 -0.11681E-02 -0.43008E-04 952 0.164E-01 0.304E-02
DAV: 17 -0.896834490485E+02 -0.57379E-03 -0.19368E-04 693 0.770E-02 0.137E-02
DAV: 18 -0.896841850505E+02 -0.73600E-03 -0.79776E-05 658 0.423E-02 0.900E-03
DAV: 19 -0.896845054368E+02 -0.32039E-03 -0.29084E-05 613 0.260E-02 0.543E-03
DAV: 20 -0.896845951915E+02 -0.89755E-04 -0.95616E-06 477 0.190E-02 0.221E-03
DAV: 21 -0.896846411023E+02 -0.45911E-04 -0.70046E-06 414 0.130E-02 0.262E-03
DAV: 22 -0.896846502561E+02 -0.91538E-05 -0.19318E-06 493 0.700E-03
1 F= -.89684650E+02 E0= -.89688584E+02 d E =0.118008E-01