./iterations/neb0_image09_iter247_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 0.374231641711E+03 0.37423E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.330828227221E+01 -0.37092E+03 -0.35829E+03 869 0.196E+02
DAV: 3 -0.967634786024E+02 -0.10007E+03 -0.99743E+02 661 0.117E+02
DAV: 4 -0.101287731609E+03 -0.45243E+01 -0.45137E+01 720 0.287E+01
DAV: 5 -0.101376249195E+03 -0.88518E-01 -0.88479E-01 728 0.364E+00 0.227E+01
DAV: 6 -0.926860196579E+02 0.86902E+01 -0.30983E+01 720 0.301E+01 0.119E+01
DAV: 7 -0.918122204209E+02 0.87380E+00 -0.17182E+00 720 0.612E+00 0.480E+00
DAV: 8 -0.914356088794E+02 0.37661E+00 -0.54424E-01 712 0.395E+00 0.162E+00
DAV: 9 -0.913549089899E+02 0.80700E-01 -0.13240E-01 712 0.155E+00 0.423E-01
DAV: 10 -0.913468305542E+02 0.80784E-02 -0.44225E-02 760 0.109E+00 0.301E-01
DAV: 11 -0.913511861101E+02 -0.43556E-02 -0.12002E-02 608 0.571E-01 0.132E-01
DAV: 12 -0.913544234590E+02 -0.32373E-02 -0.28455E-03 623 0.242E-01 0.109E-01
DAV: 13 -0.913579255039E+02 -0.35020E-02 -0.13616E-03 677 0.200E-01 0.424E-02
DAV: 14 -0.913612688426E+02 -0.33433E-02 -0.68106E-04 656 0.146E-01 0.351E-02
DAV: 15 -0.913624808846E+02 -0.12120E-02 -0.12500E-04 760 0.765E-02 0.320E-02
DAV: 16 -0.913639862378E+02 -0.15054E-02 -0.35737E-04 642 0.953E-02 0.189E-02
DAV: 17 -0.913643379255E+02 -0.35169E-03 -0.70732E-05 744 0.615E-02 0.113E-02
DAV: 18 -0.913645711405E+02 -0.23322E-03 -0.34386E-05 565 0.241E-02 0.889E-03
DAV: 19 -0.913646474094E+02 -0.76269E-04 -0.10194E-05 488 0.175E-02 0.337E-03
DAV: 20 -0.913646769280E+02 -0.29519E-04 -0.75150E-06 432 0.165E-02 0.241E-03
DAV: 21 -0.913646903158E+02 -0.13388E-04 -0.20718E-06 464 0.733E-03 0.224E-03
DAV: 22 -0.913646952610E+02 -0.49453E-05 -0.10827E-06 456 0.654E-03
1 F= -.91364695E+02 E0= -.91369498E+02 d E =0.144070E-01