./iterations/neb0_image09_iter35_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 0.374849877993E+03 0.37485E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.260120731944E+01 -0.37225E+03 -0.35977E+03 877 0.196E+02
DAV: 3 -0.966685833278E+02 -0.99270E+02 -0.98939E+02 656 0.117E+02
DAV: 4 -0.101214457389E+03 -0.45459E+01 -0.45365E+01 696 0.289E+01
DAV: 5 -0.101304163653E+03 -0.89706E-01 -0.89666E-01 736 0.368E+00 0.227E+01
DAV: 6 -0.926475519197E+02 0.86566E+01 -0.30840E+01 712 0.302E+01 0.119E+01
DAV: 7 -0.917794569939E+02 0.86809E+00 -0.17086E+00 728 0.615E+00 0.479E+00
DAV: 8 -0.914045671769E+02 0.37489E+00 -0.54209E-01 712 0.395E+00 0.164E+00
DAV: 9 -0.913212097650E+02 0.83357E-01 -0.13133E-01 704 0.155E+00 0.424E-01
DAV: 10 -0.913122256292E+02 0.89841E-02 -0.43088E-02 768 0.108E+00 0.297E-01
DAV: 11 -0.913167385227E+02 -0.45129E-02 -0.12481E-02 608 0.582E-01 0.146E-01
DAV: 12 -0.913196036949E+02 -0.28652E-02 -0.25732E-03 631 0.244E-01 0.102E-01
DAV: 13 -0.913234156069E+02 -0.38119E-02 -0.14491E-03 653 0.193E-01 0.472E-02
DAV: 14 -0.913267964262E+02 -0.33808E-02 -0.67840E-04 669 0.170E-01 0.314E-02
DAV: 15 -0.913282249051E+02 -0.14285E-02 -0.17650E-04 672 0.802E-02 0.309E-02
DAV: 16 -0.913294724874E+02 -0.12476E-02 -0.22494E-04 663 0.845E-02 0.143E-02
DAV: 17 -0.913300486582E+02 -0.57617E-03 -0.60180E-05 669 0.443E-02 0.128E-02
DAV: 18 -0.913303160415E+02 -0.26738E-03 -0.49414E-05 645 0.367E-02 0.103E-02
DAV: 19 -0.913303989781E+02 -0.82937E-04 -0.16041E-05 488 0.235E-02 0.485E-03
DAV: 20 -0.913304177462E+02 -0.18768E-04 -0.46737E-06 472 0.122E-02 0.306E-03
DAV: 21 -0.913304425831E+02 -0.24837E-04 -0.69073E-06 403 0.163E-02 0.270E-03
DAV: 22 -0.913304492611E+02 -0.66781E-05 -0.17075E-06 480 0.762E-03
1 F= -.91330449E+02 E0= -.91335204E+02 d E =0.142645E-01