iterations/neb0_image06_iter170_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 0.371045474361E+03 0.37105E+03 -0.14345E+04 640 0.799E+02
DAV: 2 0.341199422158E+01 -0.36763E+03 -0.35587E+03 877 0.193E+02
DAV: 3 -0.959844217233E+02 -0.99396E+02 -0.99061E+02 682 0.116E+02
DAV: 4 -0.100526300469E+03 -0.45419E+01 -0.45300E+01 704 0.280E+01
DAV: 5 -0.100616251805E+03 -0.89951E-01 -0.89903E-01 736 0.353E+00 0.226E+01
DAV: 6 -0.920475590189E+02 0.85687E+01 -0.30672E+01 717 0.303E+01 0.118E+01
DAV: 7 -0.912237254578E+02 0.82383E+00 -0.17323E+00 720 0.627E+00 0.480E+00
DAV: 8 -0.908491795384E+02 0.37455E+00 -0.53749E-01 728 0.406E+00 0.168E+00
DAV: 9 -0.907594177900E+02 0.89762E-01 -0.13071E-01 728 0.160E+00 0.422E-01
DAV: 10 -0.907494850179E+02 0.99328E-02 -0.35446E-02 776 0.941E-01 0.280E-01
DAV: 11 -0.907535103686E+02 -0.40254E-02 -0.90413E-03 602 0.499E-01 0.140E-01
DAV: 12 -0.907561296002E+02 -0.26192E-02 -0.18851E-03 645 0.256E-01 0.836E-02
DAV: 13 -0.907602995135E+02 -0.41699E-02 -0.19468E-03 639 0.213E-01 0.677E-02
DAV: 14 -0.907629320843E+02 -0.26326E-02 -0.86380E-04 856 0.219E-01 0.348E-02
DAV: 15 -0.907652977137E+02 -0.23656E-02 -0.40835E-04 615 0.984E-02 0.417E-02
DAV: 16 -0.907664829294E+02 -0.11852E-02 -0.25267E-04 752 0.103E-01 0.190E-02
DAV: 17 -0.907674105724E+02 -0.92764E-03 -0.17243E-04 650 0.640E-02 0.150E-02
DAV: 18 -0.907676626299E+02 -0.25206E-03 -0.20087E-05 520 0.240E-02 0.921E-03
DAV: 19 -0.907678083651E+02 -0.14574E-03 -0.32192E-05 524 0.281E-02 0.358E-03
DAV: 20 -0.907678165486E+02 -0.81835E-05 -0.30432E-06 544 0.988E-03
1 F= -.90767817E+02 E0= -.90773292E+02 d E =0.164253E-01