iterations/neb0_image06_iter200_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 0.370478438773E+03 0.37048E+03 -0.14345E+04 640 0.799E+02
DAV: 2 0.436090923164E+01 -0.36612E+03 -0.35411E+03 858 0.193E+02
DAV: 3 -0.955896712601E+02 -0.99951E+02 -0.99619E+02 664 0.116E+02
DAV: 4 -0.100367809544E+03 -0.47781E+01 -0.47632E+01 728 0.289E+01
DAV: 5 -0.100466443080E+03 -0.98634E-01 -0.98574E-01 736 0.370E+00 0.225E+01
DAV: 6 -0.919144492395E+02 0.85520E+01 -0.30645E+01 693 0.303E+01 0.118E+01
DAV: 7 -0.911039758949E+02 0.81047E+00 -0.17520E+00 704 0.627E+00 0.479E+00
DAV: 8 -0.907310796868E+02 0.37290E+00 -0.53078E-01 704 0.406E+00 0.167E+00
DAV: 9 -0.906397491906E+02 0.91330E-01 -0.12994E-01 704 0.157E+00 0.420E-01
DAV: 10 -0.906294679265E+02 0.10281E-01 -0.39430E-02 752 0.984E-01 0.289E-01
DAV: 11 -0.906338662242E+02 -0.43983E-02 -0.10071E-02 599 0.518E-01 0.146E-01
DAV: 12 -0.906365160860E+02 -0.26499E-02 -0.22016E-03 634 0.250E-01 0.866E-02
DAV: 13 -0.906406705601E+02 -0.41545E-02 -0.16042E-03 639 0.190E-01 0.601E-02
DAV: 14 -0.906437391557E+02 -0.30686E-02 -0.77980E-04 752 0.206E-01 0.350E-02
DAV: 15 -0.906458101368E+02 -0.20710E-02 -0.35296E-04 618 0.970E-02 0.382E-02
DAV: 16 -0.906469795558E+02 -0.11694E-02 -0.22367E-04 733 0.905E-02 0.148E-02
DAV: 17 -0.906477378893E+02 -0.75833E-03 -0.12348E-04 650 0.541E-02 0.147E-02
DAV: 18 -0.906480025735E+02 -0.26468E-03 -0.21894E-05 528 0.216E-02 0.872E-03
DAV: 19 -0.906481209335E+02 -0.11836E-03 -0.29876E-05 623 0.287E-02 0.422E-03
DAV: 20 -0.906481354273E+02 -0.14494E-04 -0.25301E-06 544 0.104E-02 0.319E-03
DAV: 21 -0.906481601135E+02 -0.24686E-04 -0.66039E-06 398 0.146E-02 0.269E-03
DAV: 22 -0.906481635594E+02 -0.34459E-05 -0.13498E-06 469 0.864E-03
1 F= -.90648164E+02 E0= -.90653075E+02 d E =0.147344E-01