./iterations/neb0_image05_iter37_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 0.371276835721E+03 0.37128E+03 -0.14306E+04 632 0.799E+02
DAV: 2 0.439855984141E+01 -0.36688E+03 -0.35559E+03 877 0.194E+02
DAV: 3 -0.931816279436E+02 -0.97580E+02 -0.97185E+02 616 0.116E+02
DAV: 4 -0.982310247537E+02 -0.50494E+01 -0.50338E+01 712 0.311E+01
DAV: 5 -0.983389816257E+02 -0.10796E+00 -0.10792E+00 696 0.407E+00 0.220E+01
DAV: 6 -0.899746540810E+02 0.83643E+01 -0.29801E+01 693 0.299E+01 0.114E+01
DAV: 7 -0.891538916983E+02 0.82076E+00 -0.16801E+00 712 0.659E+00 0.473E+00
DAV: 8 -0.887742522033E+02 0.37964E+00 -0.59008E-01 712 0.425E+00 0.165E+00
DAV: 9 -0.886837698783E+02 0.90482E-01 -0.13544E-01 720 0.169E+00 0.454E-01
DAV: 10 -0.886734578322E+02 0.10312E-01 -0.22536E-02 792 0.818E-01 0.285E-01
DAV: 11 -0.886758181631E+02 -0.23603E-02 -0.12957E-02 602 0.762E-01 0.161E-01
DAV: 12 -0.886779730360E+02 -0.21549E-02 -0.30960E-03 829 0.388E-01 0.103E-01
DAV: 13 -0.886820370325E+02 -0.40640E-02 -0.32765E-03 618 0.316E-01 0.944E-02
DAV: 14 -0.886847432780E+02 -0.27062E-02 -0.59100E-04 664 0.179E-01 0.473E-02
DAV: 15 -0.886878038419E+02 -0.30606E-02 -0.12507E-03 634 0.199E-01 0.488E-02
DAV: 16 -0.886894983205E+02 -0.16945E-02 -0.36366E-04 725 0.141E-01 0.211E-02
DAV: 17 -0.886902000896E+02 -0.70177E-03 -0.19473E-04 696 0.785E-02 0.188E-02
DAV: 18 -0.886908273357E+02 -0.62725E-03 -0.77229E-05 639 0.530E-02 0.114E-02
DAV: 19 -0.886910522094E+02 -0.22487E-03 -0.44593E-05 685 0.402E-02 0.731E-03
DAV: 20 -0.886911433135E+02 -0.91104E-04 -0.10123E-05 472 0.228E-02 0.293E-03
DAV: 21 -0.886912108905E+02 -0.67577E-04 -0.14127E-05 452 0.186E-02 0.390E-03
DAV: 22 -0.886912250120E+02 -0.14121E-04 -0.19189E-06 496 0.801E-03 0.288E-03
DAV: 23 -0.886912333173E+02 -0.83054E-05 -0.35644E-06 423 0.133E-02
1 F= -.88691233E+02 E0= -.88698905E+02 d E =0.230164E-01