iterations/neb0_image07_iter119_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 0.376351328353E+03 0.37635E+03 -0.14278E+04 624 0.799E+02
DAV: 2 0.331479888094E+01 -0.37304E+03 -0.36060E+03 877 0.196E+02
DAV: 3 -0.963717862954E+02 -0.99687E+02 -0.99354E+02 656 0.117E+02
DAV: 4 -0.100999622266E+03 -0.46278E+01 -0.46162E+01 696 0.290E+01
DAV: 5 -0.101093118510E+03 -0.93496E-01 -0.93457E-01 728 0.371E+00 0.227E+01
DAV: 6 -0.924842080994E+02 0.86089E+01 -0.30685E+01 712 0.303E+01 0.119E+01
DAV: 7 -0.916262071247E+02 0.85800E+00 -0.16790E+00 720 0.614E+00 0.480E+00
DAV: 8 -0.912479893111E+02 0.37822E+00 -0.55301E-01 712 0.401E+00 0.163E+00
DAV: 9 -0.911643898492E+02 0.83599E-01 -0.13160E-01 720 0.155E+00 0.424E-01
DAV: 10 -0.911549782162E+02 0.94116E-02 -0.47513E-02 741 0.111E+00 0.309E-01
DAV: 11 -0.911600899033E+02 -0.51117E-02 -0.14693E-02 616 0.635E-01 0.162E-01
DAV: 12 -0.911626958311E+02 -0.26059E-02 -0.30190E-03 650 0.242E-01 0.145E-01
DAV: 13 -0.911667578656E+02 -0.40620E-02 -0.35400E-03 658 0.345E-01 0.636E-02
DAV: 14 -0.911691216885E+02 -0.23638E-02 -0.48245E-04 672 0.116E-01 0.548E-02
DAV: 15 -0.911716760300E+02 -0.25543E-02 -0.37743E-04 629 0.921E-02 0.265E-02
DAV: 16 -0.911724960465E+02 -0.82002E-03 -0.20498E-04 688 0.697E-02 0.232E-02
DAV: 17 -0.911730772261E+02 -0.58118E-03 -0.84502E-05 634 0.525E-02 0.106E-02
DAV: 18 -0.911732257634E+02 -0.14854E-03 -0.16379E-05 480 0.224E-02 0.669E-03
DAV: 19 -0.911732807579E+02 -0.54995E-04 -0.11622E-05 464 0.201E-02 0.243E-03
DAV: 20 -0.911733266491E+02 -0.45891E-04 -0.51423E-06 412 0.100E-02 0.274E-03
DAV: 21 -0.911733406461E+02 -0.13997E-04 -0.17036E-06 461 0.628E-03 0.163E-03
DAV: 22 -0.911733471861E+02 -0.65400E-05 -0.22755E-06 406 0.866E-03
1 F= -.91173347E+02 E0= -.91178636E+02 d E =0.158675E-01