./iterations/neb0_image05_iter80_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 0.372957432759E+03 0.37296E+03 -0.14303E+04 632 0.799E+02
DAV: 2 0.344252844141E+01 -0.36951E+03 -0.35739E+03 885 0.194E+02
DAV: 3 -0.941020926967E+02 -0.97545E+02 -0.97200E+02 645 0.116E+02
DAV: 4 -0.986218919646E+02 -0.45198E+01 -0.45083E+01 704 0.292E+01
DAV: 5 -0.987204439981E+02 -0.98552E-01 -0.98513E-01 744 0.380E+00 0.218E+01
DAV: 6 -0.904624869855E+02 0.82580E+01 -0.28835E+01 706 0.290E+01 0.112E+01
DAV: 7 -0.896129065348E+02 0.84958E+00 -0.17957E+00 720 0.675E+00 0.468E+00
DAV: 8 -0.892270406980E+02 0.38587E+00 -0.61506E-01 704 0.444E+00 0.155E+00
DAV: 9 -0.891434155983E+02 0.83625E-01 -0.12380E-01 736 0.163E+00 0.439E-01
DAV: 10 -0.891320948789E+02 0.11321E-01 -0.47990E-02 704 0.117E+00 0.333E-01
DAV: 11 -0.891338300010E+02 -0.17351E-02 -0.98253E-03 629 0.567E-01 0.119E-01
DAV: 12 -0.891359669155E+02 -0.21369E-02 -0.31610E-03 688 0.304E-01 0.115E-01
DAV: 13 -0.891413005325E+02 -0.53336E-02 -0.16976E-03 791 0.282E-01 0.661E-02
DAV: 14 -0.891439872726E+02 -0.26867E-02 -0.76273E-04 682 0.130E-01 0.414E-02
DAV: 15 -0.891472999626E+02 -0.33127E-02 -0.76788E-04 709 0.154E-01 0.344E-02
DAV: 16 -0.891480403317E+02 -0.74037E-03 -0.85578E-05 784 0.626E-02 0.211E-02
DAV: 17 -0.891490482314E+02 -0.10079E-02 -0.21084E-04 647 0.784E-02 0.143E-02
DAV: 18 -0.891494490761E+02 -0.40084E-03 -0.45897E-05 656 0.480E-02 0.765E-03
DAV: 19 -0.891495962507E+02 -0.14717E-03 -0.23271E-05 520 0.254E-02 0.560E-03
DAV: 20 -0.891496893478E+02 -0.93097E-04 -0.14958E-05 436 0.220E-02 0.366E-03
DAV: 21 -0.891497144721E+02 -0.25124E-04 -0.37652E-06 488 0.976E-03 0.304E-03
DAV: 22 -0.891497257896E+02 -0.11317E-04 -0.34915E-06 434 0.124E-02 0.190E-03
DAV: 23 -0.891497293519E+02 -0.35623E-05 -0.11685E-06 480 0.674E-03
1 F= -.89149729E+02 E0= -.89153824E+02 d E =0.122844E-01