./iterations/neb0_image03_iter98_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 0.366841367472E+03 0.36684E+03 -0.14317E+04 632 0.799E+02
DAV: 2 0.309889215971E+01 -0.36374E+03 -0.35042E+03 845 0.195E+02
DAV: 3 -0.955273658304E+02 -0.98626E+02 -0.98306E+02 664 0.116E+02
DAV: 4 -0.100128508828E+03 -0.46011E+01 -0.45914E+01 712 0.287E+01
DAV: 5 -0.100219654745E+03 -0.91146E-01 -0.91109E-01 736 0.362E+00 0.222E+01
DAV: 6 -0.916563835420E+02 0.85633E+01 -0.30575E+01 688 0.296E+01 0.116E+01
DAV: 7 -0.908107792679E+02 0.84560E+00 -0.18082E+00 704 0.639E+00 0.482E+00
DAV: 8 -0.904086889366E+02 0.40209E+00 -0.56854E-01 688 0.434E+00 0.166E+00
DAV: 9 -0.903144223625E+02 0.94267E-01 -0.13317E-01 696 0.180E+00 0.453E-01
DAV: 10 -0.903061449493E+02 0.82774E-02 -0.40018E-02 728 0.104E+00 0.333E-01
DAV: 11 -0.903088753502E+02 -0.27304E-02 -0.62404E-03 672 0.562E-01 0.125E-01
DAV: 12 -0.903111681690E+02 -0.22928E-02 -0.39296E-03 618 0.305E-01 0.113E-01
DAV: 13 -0.903161108468E+02 -0.49427E-02 -0.27503E-03 685 0.347E-01 0.841E-02
DAV: 14 -0.903196300708E+02 -0.35192E-02 -0.74983E-04 661 0.162E-01 0.494E-02
DAV: 15 -0.903220098013E+02 -0.23797E-02 -0.64827E-04 672 0.147E-01 0.297E-02
DAV: 16 -0.903233411437E+02 -0.13313E-02 -0.13080E-04 741 0.751E-02 0.127E-02
DAV: 17 -0.903243157209E+02 -0.97458E-03 -0.13850E-04 669 0.484E-02 0.956E-03
DAV: 18 -0.903245833256E+02 -0.26760E-03 -0.21944E-05 536 0.252E-02 0.498E-03
DAV: 19 -0.903246940355E+02 -0.11071E-03 -0.22623E-05 538 0.255E-02 0.644E-03
DAV: 20 -0.903247052745E+02 -0.11239E-04 -0.30578E-06 536 0.125E-02 0.500E-03
DAV: 21 -0.903247473498E+02 -0.42075E-04 -0.11523E-05 420 0.208E-02 0.330E-03
DAV: 22 -0.903247555661E+02 -0.82163E-05 -0.23160E-06 480 0.959E-03
1 F= -.90324756E+02 E0= -.90333280E+02 d E =0.255733E-01