iterations/neb0_image07_iter11_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 0.364621187582E+03 0.36462E+03 -0.14217E+04 624 0.799E+02
DAV: 2 0.245431557197E+01 -0.36217E+03 -0.34992E+03 874 0.194E+02
DAV: 3 -0.953711940462E+02 -0.97826E+02 -0.97431E+02 709 0.115E+02
DAV: 4 -0.994676705324E+02 -0.40965E+01 -0.40811E+01 736 0.260E+01
DAV: 5 -0.995490808479E+02 -0.81410E-01 -0.81377E-01 744 0.327E+00 0.218E+01
DAV: 6 -0.909743985005E+02 0.85747E+01 -0.31441E+01 704 0.306E+01 0.114E+01
DAV: 7 -0.901679232646E+02 0.80648E+00 -0.16703E+00 704 0.685E+00 0.485E+00
DAV: 8 -0.897910082441E+02 0.37692E+00 -0.69848E-01 712 0.454E+00 0.170E+00
DAV: 9 -0.897061956961E+02 0.84813E-01 -0.14255E-01 725 0.185E+00 0.517E-01
DAV: 10 -0.896962806706E+02 0.99150E-02 -0.21686E-02 728 0.716E-01 0.283E-01
DAV: 11 -0.896981229007E+02 -0.18422E-02 -0.12519E-02 624 0.684E-01 0.166E-01
DAV: 12 -0.897000208377E+02 -0.18979E-02 -0.31191E-03 768 0.385E-01 0.106E-01
DAV: 13 -0.897044772177E+02 -0.44564E-02 -0.31936E-03 619 0.303E-01 0.102E-01
DAV: 14 -0.897070671906E+02 -0.25900E-02 -0.13337E-03 661 0.202E-01 0.501E-02
DAV: 15 -0.897101372406E+02 -0.30700E-02 -0.13408E-03 781 0.240E-01 0.577E-02
DAV: 16 -0.897111377074E+02 -0.10005E-02 -0.33341E-04 976 0.136E-01 0.340E-02
DAV: 17 -0.897118065987E+02 -0.66889E-03 -0.24766E-04 658 0.938E-02 0.174E-02
DAV: 18 -0.897124445070E+02 -0.63791E-03 -0.90098E-05 669 0.527E-02 0.129E-02
DAV: 19 -0.897127628440E+02 -0.31834E-03 -0.41445E-05 597 0.374E-02 0.768E-03
DAV: 20 -0.897128516510E+02 -0.88807E-04 -0.19443E-05 485 0.280E-02 0.478E-03
DAV: 21 -0.897128978244E+02 -0.46173E-04 -0.75962E-06 415 0.157E-02 0.318E-03
DAV: 22 -0.897129122295E+02 -0.14405E-04 -0.47135E-06 469 0.123E-02 0.223E-03
DAV: 23 -0.897129179731E+02 -0.57437E-05 -0.11301E-06 441 0.570E-03
1 F= -.89712918E+02 E0= -.89716797E+02 d E =0.116384E-01