./iterations/neb0_image04_iter43_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 0.372823486741E+03 0.37282E+03 -0.14328E+04 632 0.799E+02
DAV: 2 0.470747248575E+01 -0.36812E+03 -0.35615E+03 869 0.195E+02
DAV: 3 -0.949369126015E+02 -0.99644E+02 -0.99298E+02 653 0.116E+02
DAV: 4 -0.996109838609E+02 -0.46741E+01 -0.46547E+01 720 0.293E+01
DAV: 5 -0.997024694422E+02 -0.91486E-01 -0.91446E-01 728 0.371E+00 0.225E+01
DAV: 6 -0.910964567817E+02 0.86060E+01 -0.30109E+01 690 0.297E+01 0.117E+01
DAV: 7 -0.902295915591E+02 0.86687E+00 -0.17798E+00 704 0.632E+00 0.484E+00
DAV: 8 -0.898269436970E+02 0.40265E+00 -0.57159E-01 712 0.436E+00 0.169E+00
DAV: 9 -0.897362144059E+02 0.90729E-01 -0.13558E-01 728 0.183E+00 0.515E-01
DAV: 10 -0.897259817001E+02 0.10233E-01 -0.17699E-02 720 0.712E-01 0.322E-01
DAV: 11 -0.897256360440E+02 0.34566E-03 -0.16449E-02 656 0.676E-01 0.204E-01
DAV: 12 -0.897281095381E+02 -0.24735E-02 -0.21632E-03 680 0.344E-01 0.120E-01
DAV: 13 -0.897322711770E+02 -0.41616E-02 -0.36587E-03 619 0.342E-01 0.101E-01
DAV: 14 -0.897354673251E+02 -0.31961E-02 -0.94334E-04 704 0.192E-01 0.495E-02
DAV: 15 -0.897387654159E+02 -0.32981E-02 -0.75360E-04 660 0.164E-01 0.394E-02
DAV: 16 -0.897404247610E+02 -0.16593E-02 -0.15590E-04 802 0.947E-02 0.187E-02
DAV: 17 -0.897419455704E+02 -0.15208E-02 -0.28473E-04 663 0.800E-02 0.214E-02
DAV: 18 -0.897423442975E+02 -0.39873E-03 -0.37308E-05 637 0.528E-02 0.101E-02
DAV: 19 -0.897426496674E+02 -0.30537E-03 -0.87743E-05 650 0.507E-02 0.130E-02
DAV: 20 -0.897427448349E+02 -0.95167E-04 -0.10914E-05 469 0.317E-02 0.576E-03
DAV: 21 -0.897427979978E+02 -0.53163E-04 -0.17972E-05 453 0.223E-02 0.226E-03
DAV: 22 -0.897428272227E+02 -0.29225E-04 -0.37890E-06 433 0.855E-03 0.228E-03
DAV: 23 -0.897428409824E+02 -0.13760E-04 -0.18802E-06 442 0.861E-03 0.804E-04
DAV: 24 -0.897428438322E+02 -0.28498E-05 -0.17879E-06 474 0.734E-03
1 F= -.89742844E+02 E0= -.89754527E+02 d E =0.350495E-01