./iterations/neb0_image08_iter192_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 0.374337024383E+03 0.37434E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.360488835537E+01 -0.37073E+03 -0.35842E+03 866 0.196E+02
DAV: 3 -0.966822415865E+02 -0.10029E+03 -0.99984E+02 669 0.117E+02
DAV: 4 -0.101270826818E+03 -0.45886E+01 -0.45766E+01 728 0.287E+01
DAV: 5 -0.101360824222E+03 -0.89997E-01 -0.89943E-01 720 0.363E+00 0.228E+01
DAV: 6 -0.926576447508E+02 0.87032E+01 -0.30980E+01 712 0.301E+01 0.119E+01
DAV: 7 -0.917895909480E+02 0.86805E+00 -0.17406E+00 720 0.615E+00 0.480E+00
DAV: 8 -0.914152023575E+02 0.37439E+00 -0.53852E-01 720 0.394E+00 0.162E+00
DAV: 9 -0.913345268516E+02 0.80676E-01 -0.13250E-01 728 0.155E+00 0.419E-01
DAV: 10 -0.913265571654E+02 0.79697E-02 -0.44526E-02 760 0.109E+00 0.302E-01
DAV: 11 -0.913313376962E+02 -0.47805E-02 -0.13384E-02 605 0.605E-01 0.145E-01
DAV: 12 -0.913342406448E+02 -0.29029E-02 -0.27595E-03 630 0.241E-01 0.103E-01
DAV: 13 -0.913377777045E+02 -0.35371E-02 -0.17643E-03 639 0.216E-01 0.459E-02
DAV: 14 -0.913413669301E+02 -0.35892E-02 -0.93741E-04 653 0.197E-01 0.380E-02
DAV: 15 -0.913422163688E+02 -0.84944E-03 -0.21512E-04 712 0.930E-02 0.297E-02
DAV: 16 -0.913430828450E+02 -0.86648E-03 -0.18823E-04 703 0.833E-02 0.113E-02
DAV: 17 -0.913438854421E+02 -0.80260E-03 -0.76079E-05 656 0.381E-02 0.133E-02
DAV: 18 -0.913441407213E+02 -0.25528E-03 -0.26164E-05 608 0.225E-02 0.924E-03
DAV: 19 -0.913442589339E+02 -0.11821E-03 -0.32677E-05 616 0.325E-02 0.581E-03
DAV: 20 -0.913442759672E+02 -0.17033E-04 -0.32935E-06 512 0.141E-02 0.360E-03
DAV: 21 -0.913442885786E+02 -0.12611E-04 -0.40458E-06 407 0.109E-02 0.133E-03
DAV: 22 -0.913442946642E+02 -0.60856E-05 -0.76912E-07 464 0.472E-03
1 F= -.91344295E+02 E0= -.91349477E+02 d E =0.155483E-01