./iterations/neb0_image05_iter152_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 0.362896070519E+03 0.36290E+03 -0.14326E+04 640 0.799E+02
DAV: 2 0.632845025548E+00 -0.36226E+03 -0.34966E+03 877 0.192E+02
DAV: 3 -0.951845231659E+02 -0.95817E+02 -0.95473E+02 672 0.114E+02
DAV: 4 -0.994771728961E+02 -0.42926E+01 -0.42831E+01 728 0.274E+01
DAV: 5 -0.995630425087E+02 -0.85870E-01 -0.85835E-01 736 0.346E+00 0.218E+01
DAV: 6 -0.911976368023E+02 0.83654E+01 -0.30257E+01 680 0.297E+01 0.114E+01
DAV: 7 -0.904333642285E+02 0.76427E+00 -0.17982E+00 736 0.633E+00 0.476E+00
DAV: 8 -0.900614546168E+02 0.37191E+00 -0.53406E-01 720 0.416E+00 0.167E+00
DAV: 9 -0.899689757276E+02 0.92479E-01 -0.12841E-01 736 0.159E+00 0.426E-01
DAV: 10 -0.899604403732E+02 0.85354E-02 -0.52103E-02 712 0.124E+00 0.334E-01
DAV: 11 -0.899642535490E+02 -0.38132E-02 -0.85328E-03 616 0.621E-01 0.116E-01
DAV: 12 -0.899668492330E+02 -0.25957E-02 -0.66077E-03 604 0.388E-01 0.147E-01
DAV: 13 -0.899695476634E+02 -0.26984E-02 -0.24740E-03 853 0.380E-01 0.815E-02
DAV: 14 -0.899728164037E+02 -0.32687E-02 -0.13026E-03 634 0.162E-01 0.727E-02
DAV: 15 -0.899755236256E+02 -0.27072E-02 -0.43471E-04 712 0.120E-01 0.429E-02
DAV: 16 -0.899770114851E+02 -0.14879E-02 -0.68862E-04 693 0.142E-01 0.383E-02
DAV: 17 -0.899777461793E+02 -0.73469E-03 -0.19910E-04 842 0.980E-02 0.152E-02
DAV: 18 -0.899780692286E+02 -0.32305E-03 -0.67108E-05 685 0.393E-02 0.901E-03
DAV: 19 -0.899781958772E+02 -0.12665E-03 -0.83658E-06 480 0.131E-02 0.617E-03
DAV: 20 -0.899782734978E+02 -0.77621E-04 -0.14869E-05 480 0.225E-02 0.206E-03
DAV: 21 -0.899782989952E+02 -0.25497E-04 -0.37492E-06 496 0.929E-03 0.272E-03
DAV: 22 -0.899783066051E+02 -0.76099E-05 -0.14329E-06 424 0.652E-03
1 F= -.89978307E+02 E0= -.89986238E+02 d E =0.237955E-01