iterations/neb0_image08_iter194_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 0.374243295199E+03 0.37424E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.356983058014E+01 -0.37067E+03 -0.35834E+03 869 0.196E+02
DAV: 3 -0.966854804199E+02 -0.10026E+03 -0.99951E+02 669 0.117E+02
DAV: 4 -0.101270038491E+03 -0.45846E+01 -0.45725E+01 728 0.287E+01
DAV: 5 -0.101359982802E+03 -0.89944E-01 -0.89891E-01 712 0.363E+00 0.228E+01
DAV: 6 -0.926584402149E+02 0.87015E+01 -0.30992E+01 704 0.301E+01 0.119E+01
DAV: 7 -0.917909031133E+02 0.86754E+00 -0.17341E+00 720 0.615E+00 0.479E+00
DAV: 8 -0.914162652231E+02 0.37464E+00 -0.53721E-01 720 0.393E+00 0.163E+00
DAV: 9 -0.913354392488E+02 0.80826E-01 -0.13275E-01 728 0.155E+00 0.419E-01
DAV: 10 -0.913274410670E+02 0.79982E-02 -0.44735E-02 760 0.109E+00 0.302E-01
DAV: 11 -0.913322354101E+02 -0.47943E-02 -0.13611E-02 605 0.610E-01 0.147E-01
DAV: 12 -0.913351024341E+02 -0.28670E-02 -0.27682E-03 630 0.241E-01 0.103E-01
DAV: 13 -0.913386622251E+02 -0.35598E-02 -0.18271E-03 639 0.219E-01 0.466E-02
DAV: 14 -0.913422345526E+02 -0.35723E-02 -0.93693E-04 653 0.198E-01 0.374E-02
DAV: 15 -0.913431435969E+02 -0.90904E-03 -0.21941E-04 704 0.922E-02 0.293E-02
DAV: 16 -0.913439760575E+02 -0.83246E-03 -0.17326E-04 709 0.807E-02 0.105E-02
DAV: 17 -0.913447921439E+02 -0.81609E-03 -0.80652E-05 653 0.385E-02 0.135E-02
DAV: 18 -0.913450374872E+02 -0.24534E-03 -0.23020E-05 592 0.220E-02 0.913E-03
DAV: 19 -0.913451580308E+02 -0.12054E-03 -0.37078E-05 632 0.348E-02 0.652E-03
DAV: 20 -0.913451721598E+02 -0.14129E-04 -0.37135E-06 528 0.168E-02 0.361E-03
DAV: 21 -0.913451822709E+02 -0.10111E-04 -0.43120E-06 418 0.111E-02 0.135E-03
DAV: 22 -0.913451876156E+02 -0.53447E-05 -0.65430E-07 472 0.490E-03
1 F= -.91345188E+02 E0= -.91350255E+02 d E =0.152015E-01