./iterations/neb0_image08_iter160_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 0.373847831948E+03 0.37385E+03 -0.14278E+04 624 0.799E+02
DAV: 2 0.365041167402E+01 -0.37020E+03 -0.35808E+03 866 0.196E+02
DAV: 3 -0.966514987795E+02 -0.10030E+03 -0.99995E+02 669 0.117E+02
DAV: 4 -0.101219418265E+03 -0.45679E+01 -0.45544E+01 720 0.284E+01
DAV: 5 -0.101309621923E+03 -0.90204E-01 -0.90146E-01 720 0.361E+00 0.227E+01
DAV: 6 -0.926328780161E+02 0.86767E+01 -0.31045E+01 720 0.301E+01 0.119E+01
DAV: 7 -0.917735563838E+02 0.85932E+00 -0.17372E+00 712 0.616E+00 0.479E+00
DAV: 8 -0.913995615043E+02 0.37399E+00 -0.53728E-01 720 0.393E+00 0.163E+00
DAV: 9 -0.913183331663E+02 0.81228E-01 -0.13220E-01 712 0.156E+00 0.421E-01
DAV: 10 -0.913102849228E+02 0.80482E-02 -0.44193E-02 776 0.110E+00 0.297E-01
DAV: 11 -0.913147446886E+02 -0.44598E-02 -0.12120E-02 608 0.578E-01 0.133E-01
DAV: 12 -0.913177549729E+02 -0.30103E-02 -0.27310E-03 633 0.251E-01 0.105E-01
DAV: 13 -0.913211315465E+02 -0.33766E-02 -0.12299E-03 650 0.188E-01 0.456E-02
DAV: 14 -0.913242625286E+02 -0.31310E-02 -0.67911E-04 672 0.157E-01 0.334E-02
DAV: 15 -0.913257737069E+02 -0.15112E-02 -0.18203E-04 720 0.827E-02 0.368E-02
DAV: 16 -0.913271063225E+02 -0.13326E-02 -0.31797E-04 656 0.903E-02 0.143E-02
DAV: 17 -0.913275660185E+02 -0.45970E-03 -0.44327E-05 608 0.391E-02 0.142E-02
DAV: 18 -0.913278283534E+02 -0.26233E-03 -0.55699E-05 645 0.398E-02 0.110E-02
DAV: 19 -0.913278800705E+02 -0.51717E-04 -0.11838E-05 504 0.238E-02 0.424E-03
DAV: 20 -0.913279062173E+02 -0.26147E-04 -0.60651E-06 432 0.130E-02 0.179E-03
DAV: 21 -0.913279337506E+02 -0.27533E-04 -0.40203E-06 431 0.959E-03 0.172E-03
DAV: 22 -0.913279396220E+02 -0.58714E-05 -0.98451E-07 464 0.584E-03
1 F= -.91327940E+02 E0= -.91332796E+02 d E =0.145700E-01