iterations/neb0_image06_iter39_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 0.376781619465E+03 0.37678E+03 -0.14326E+04 632 0.799E+02
DAV: 2 0.466273527511E+01 -0.37212E+03 -0.35893E+03 858 0.196E+02
DAV: 3 -0.956006676630E+02 -0.10026E+03 -0.99929E+02 656 0.117E+02
DAV: 4 -0.100024227086E+03 -0.44236E+01 -0.44118E+01 728 0.290E+01
DAV: 5 -0.100109793138E+03 -0.85566E-01 -0.85540E-01 728 0.363E+00 0.228E+01
DAV: 6 -0.913441009932E+02 0.87657E+01 -0.30664E+01 671 0.306E+01 0.119E+01
DAV: 7 -0.904559336477E+02 0.88817E+00 -0.17321E+00 720 0.635E+00 0.482E+00
DAV: 8 -0.900678637511E+02 0.38807E+00 -0.54764E-01 696 0.413E+00 0.166E+00
DAV: 9 -0.899771950981E+02 0.90669E-01 -0.12870E-01 720 0.169E+00 0.451E-01
DAV: 10 -0.899672094030E+02 0.99857E-02 -0.35993E-02 768 0.947E-01 0.307E-01
DAV: 11 -0.899727797160E+02 -0.55703E-02 -0.22013E-02 666 0.107E+00 0.275E-01
DAV: 12 -0.899722039034E+02 0.57581E-03 -0.62247E-03 720 0.504E-01 0.167E-01
DAV: 13 -0.899757007735E+02 -0.34969E-02 -0.54733E-03 648 0.462E-01 0.122E-01
DAV: 14 -0.899787080346E+02 -0.30073E-02 -0.17252E-03 666 0.198E-01 0.963E-02
DAV: 15 -0.899813872927E+02 -0.26793E-02 -0.87735E-04 672 0.208E-01 0.409E-02
DAV: 16 -0.899837687364E+02 -0.23814E-02 -0.67383E-04 672 0.144E-01 0.375E-02
DAV: 17 -0.899846215408E+02 -0.85280E-03 -0.61223E-05 704 0.494E-02 0.285E-02
DAV: 18 -0.899853494138E+02 -0.72787E-03 -0.15603E-04 649 0.689E-02 0.882E-03
DAV: 19 -0.899855517704E+02 -0.20236E-03 -0.16052E-05 504 0.259E-02 0.591E-03
DAV: 20 -0.899856529770E+02 -0.10121E-03 -0.14441E-05 471 0.174E-02 0.339E-03
DAV: 21 -0.899856781284E+02 -0.25151E-04 -0.24136E-06 520 0.122E-02 0.308E-03
DAV: 22 -0.899857110029E+02 -0.32875E-04 -0.65380E-06 394 0.130E-02 0.417E-03
DAV: 23 -0.899857162497E+02 -0.52467E-05 -0.17854E-06 480 0.111E-02
1 F= -.89985716E+02 E0= -.89995240E+02 d E =0.285709E-01