iterations/neb0_image09_iter133_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 0.374351184566E+03 0.37435E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.244581846230E+01 -0.37191E+03 -0.35963E+03 877 0.196E+02
DAV: 3 -0.968016660861E+02 -0.99247E+02 -0.98911E+02 664 0.116E+02
DAV: 4 -0.101236209423E+03 -0.44345E+01 -0.44252E+01 704 0.285E+01
DAV: 5 -0.101323012043E+03 -0.86803E-01 -0.86764E-01 736 0.361E+00 0.227E+01
DAV: 6 -0.926723605282E+02 0.86507E+01 -0.30897E+01 701 0.301E+01 0.119E+01
DAV: 7 -0.918061749014E+02 0.86619E+00 -0.17077E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.914292699441E+02 0.37690E+00 -0.54547E-01 712 0.396E+00 0.163E+00
DAV: 9 -0.913473545275E+02 0.81915E-01 -0.13086E-01 712 0.155E+00 0.424E-01
DAV: 10 -0.913385999581E+02 0.87546E-02 -0.45534E-02 768 0.112E+00 0.303E-01
DAV: 11 -0.913429349997E+02 -0.43350E-02 -0.12507E-02 624 0.582E-01 0.138E-01
DAV: 12 -0.913459922860E+02 -0.30573E-02 -0.29855E-03 626 0.247E-01 0.113E-01
DAV: 13 -0.913497190996E+02 -0.37268E-02 -0.13455E-03 709 0.203E-01 0.438E-02
DAV: 14 -0.913529691879E+02 -0.32501E-02 -0.62222E-04 672 0.133E-01 0.373E-02
DAV: 15 -0.913545087799E+02 -0.15396E-02 -0.15251E-04 736 0.790E-02 0.348E-02
DAV: 16 -0.913558772041E+02 -0.13684E-02 -0.33769E-04 647 0.894E-02 0.186E-02
DAV: 17 -0.913562543944E+02 -0.37719E-03 -0.75439E-05 752 0.610E-02 0.125E-02
DAV: 18 -0.913564895225E+02 -0.23513E-03 -0.34777E-05 562 0.249E-02 0.103E-02
DAV: 19 -0.913565426833E+02 -0.53161E-04 -0.99980E-06 496 0.179E-02 0.404E-03
DAV: 20 -0.913565729306E+02 -0.30247E-04 -0.74419E-06 421 0.168E-02 0.218E-03
DAV: 21 -0.913565878399E+02 -0.14909E-04 -0.23297E-06 464 0.732E-03 0.230E-03
DAV: 22 -0.913565940302E+02 -0.61903E-05 -0.79933E-07 426 0.525E-03
1 F= -.91356594E+02 E0= -.91361400E+02 d E =0.144189E-01