iterations/neb0_image08_iter21_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 0.372712433610E+03 0.37271E+03 -0.14265E+04 624 0.799E+02
DAV: 2 0.297050935666E+01 -0.36974E+03 -0.35755E+03 869 0.195E+02
DAV: 3 -0.962813144729E+02 -0.99252E+02 -0.98909E+02 672 0.116E+02
DAV: 4 -0.100775209597E+03 -0.44939E+01 -0.44817E+01 712 0.282E+01
DAV: 5 -0.100864590213E+03 -0.89381E-01 -0.89335E-01 728 0.360E+00 0.224E+01
DAV: 6 -0.922613337384E+02 0.86033E+01 -0.30796E+01 696 0.302E+01 0.117E+01
DAV: 7 -0.914238062929E+02 0.83753E+00 -0.16970E+00 720 0.629E+00 0.478E+00
DAV: 8 -0.910529603999E+02 0.37085E+00 -0.55960E-01 712 0.404E+00 0.165E+00
DAV: 9 -0.909688836341E+02 0.84077E-01 -0.12981E-01 712 0.157E+00 0.432E-01
DAV: 10 -0.909593804419E+02 0.95032E-02 -0.36598E-02 752 0.967E-01 0.283E-01
DAV: 11 -0.909639101486E+02 -0.45297E-02 -0.10966E-02 616 0.563E-01 0.155E-01
DAV: 12 -0.909661393435E+02 -0.22292E-02 -0.20726E-03 626 0.263E-01 0.881E-02
DAV: 13 -0.909704634081E+02 -0.43241E-02 -0.22250E-03 630 0.236E-01 0.619E-02
DAV: 14 -0.909723853636E+02 -0.19220E-02 -0.53638E-04 888 0.194E-01 0.393E-02
DAV: 15 -0.909749899740E+02 -0.26046E-02 -0.48999E-04 626 0.107E-01 0.322E-02
DAV: 16 -0.909761241966E+02 -0.11342E-02 -0.16226E-04 800 0.844E-02 0.202E-02
DAV: 17 -0.909771277239E+02 -0.10035E-02 -0.21539E-04 636 0.713E-02 0.161E-02
DAV: 18 -0.909773713555E+02 -0.24363E-03 -0.31062E-05 600 0.351E-02 0.758E-03
DAV: 19 -0.909774950551E+02 -0.12370E-03 -0.24829E-05 548 0.243E-02 0.385E-03
DAV: 20 -0.909775232405E+02 -0.28185E-04 -0.27693E-06 512 0.114E-02 0.182E-03
DAV: 21 -0.909775514083E+02 -0.28168E-04 -0.35865E-06 392 0.821E-03 0.975E-04
DAV: 22 -0.909775600755E+02 -0.86672E-05 -0.13184E-06 472 0.607E-03
1 F= -.90977560E+02 E0= -.90983095E+02 d E =0.166059E-01