iterations/neb0_image08_iter35_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 0.376776183215E+03 0.37678E+03 -0.14284E+04 624 0.799E+02
DAV: 2 0.379538942913E+01 -0.37298E+03 -0.35915E+03 869 0.196E+02
DAV: 3 -0.964155186878E+02 -0.10021E+03 -0.99883E+02 664 0.117E+02
DAV: 4 -0.100998262488E+03 -0.45827E+01 -0.45717E+01 712 0.288E+01
DAV: 5 -0.101088032404E+03 -0.89770E-01 -0.89735E-01 736 0.364E+00 0.228E+01
DAV: 6 -0.924449061991E+02 0.86431E+01 -0.30698E+01 682 0.304E+01 0.119E+01
DAV: 7 -0.915842330334E+02 0.86067E+00 -0.16680E+00 728 0.613E+00 0.480E+00
DAV: 8 -0.912092566568E+02 0.37498E+00 -0.53806E-01 704 0.397E+00 0.162E+00
DAV: 9 -0.911265263609E+02 0.82730E-01 -0.13001E-01 720 0.156E+00 0.420E-01
DAV: 10 -0.911173283246E+02 0.91980E-02 -0.44737E-02 776 0.111E+00 0.303E-01
DAV: 11 -0.911216548020E+02 -0.43265E-02 -0.11733E-02 608 0.579E-01 0.133E-01
DAV: 12 -0.911244929384E+02 -0.28381E-02 -0.24561E-03 628 0.231E-01 0.114E-01
DAV: 13 -0.911286296421E+02 -0.41367E-02 -0.19862E-03 645 0.242E-01 0.466E-02
DAV: 14 -0.911312039876E+02 -0.25743E-02 -0.37697E-04 677 0.119E-01 0.274E-02
DAV: 15 -0.911337735470E+02 -0.25696E-02 -0.28943E-04 634 0.713E-02 0.281E-02
DAV: 16 -0.911346397991E+02 -0.86625E-03 -0.10913E-04 688 0.564E-02 0.790E-03
DAV: 17 -0.911353372256E+02 -0.69743E-03 -0.73983E-05 567 0.346E-02 0.119E-02
DAV: 18 -0.911355175511E+02 -0.18033E-03 -0.17490E-05 544 0.229E-02 0.709E-03
DAV: 19 -0.911355860470E+02 -0.68496E-04 -0.15066E-05 434 0.200E-02 0.393E-03
DAV: 20 -0.911355951335E+02 -0.90866E-05 -0.30596E-06 536 0.121E-02
1 F= -.91135595E+02 E0= -.91140918E+02 d E =0.159684E-01