./iterations/neb0_image03_iter140_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 0.365366760639E+03 0.36537E+03 -0.14317E+04 632 0.799E+02
DAV: 2 0.217727368081E+01 -0.36319E+03 -0.35088E+03 853 0.195E+02
DAV: 3 -0.960163923638E+02 -0.98194E+02 -0.97870E+02 696 0.116E+02
DAV: 4 -0.100192670483E+03 -0.41763E+01 -0.41665E+01 704 0.270E+01
DAV: 5 -0.100273801330E+03 -0.81131E-01 -0.81101E-01 736 0.337E+00 0.222E+01
DAV: 6 -0.916953441590E+02 0.85785E+01 -0.30673E+01 688 0.297E+01 0.116E+01
DAV: 7 -0.908513590646E+02 0.84399E+00 -0.18248E+00 712 0.651E+00 0.484E+00
DAV: 8 -0.904462363972E+02 0.40512E+00 -0.58176E-01 704 0.453E+00 0.170E+00
DAV: 9 -0.903513372689E+02 0.94899E-01 -0.13365E-01 704 0.188E+00 0.482E-01
DAV: 10 -0.903416310880E+02 0.97062E-02 -0.41020E-02 720 0.104E+00 0.349E-01
DAV: 11 -0.903434794635E+02 -0.18484E-02 -0.55888E-03 712 0.569E-01 0.151E-01
DAV: 12 -0.903459167724E+02 -0.24373E-02 -0.44894E-03 618 0.346E-01 0.114E-01
DAV: 13 -0.903507062540E+02 -0.47895E-02 -0.25263E-03 645 0.269E-01 0.801E-02
DAV: 14 -0.903556956942E+02 -0.49894E-02 -0.12269E-03 636 0.172E-01 0.547E-02
DAV: 15 -0.903570611780E+02 -0.13655E-02 -0.23804E-04 712 0.893E-02 0.207E-02
DAV: 16 -0.903588889173E+02 -0.18277E-02 -0.19009E-04 655 0.624E-02 0.136E-02
DAV: 17 -0.903597066656E+02 -0.81775E-03 -0.64455E-05 624 0.417E-02 0.845E-03
DAV: 18 -0.903600631091E+02 -0.35644E-03 -0.65537E-05 639 0.385E-02 0.926E-03
DAV: 19 -0.903600843061E+02 -0.21197E-04 -0.53399E-06 544 0.246E-02 0.499E-03
DAV: 20 -0.903601609594E+02 -0.76653E-04 -0.27518E-05 524 0.304E-02 0.747E-03
DAV: 21 -0.903601955375E+02 -0.34578E-04 -0.47944E-06 456 0.196E-02 0.352E-03
DAV: 22 -0.903602102476E+02 -0.14710E-04 -0.80177E-06 496 0.152E-02 0.176E-03
DAV: 23 -0.903602147521E+02 -0.45046E-05 -0.16600E-06 466 0.640E-03
1 F= -.90360215E+02 E0= -.90368994E+02 d E =0.263372E-01