iterations/neb0_image03_iter8_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 0.363479205708E+03 0.36348E+03 -0.14251E+04 624 0.799E+02
DAV: 2 0.500822349372E+01 -0.35847E+03 -0.34568E+03 842 0.194E+02
DAV: 3 -0.939320439435E+02 -0.98940E+02 -0.98545E+02 672 0.116E+02
DAV: 4 -0.986404619719E+02 -0.47084E+01 -0.46939E+01 720 0.284E+01
DAV: 5 -0.987405864772E+02 -0.10012E+00 -0.10008E+00 728 0.364E+00 0.216E+01
DAV: 6 -0.901138636742E+02 0.86267E+01 -0.31550E+01 720 0.301E+01 0.112E+01
DAV: 7 -0.893482317716E+02 0.76563E+00 -0.17368E+00 728 0.647E+00 0.477E+00
DAV: 8 -0.889727006541E+02 0.37553E+00 -0.59491E-01 704 0.432E+00 0.171E+00
DAV: 9 -0.888823537478E+02 0.90347E-01 -0.13959E-01 720 0.176E+00 0.448E-01
DAV: 10 -0.888744528192E+02 0.79009E-02 -0.30651E-02 733 0.874E-01 0.309E-01
DAV: 11 -0.888794637906E+02 -0.50110E-02 -0.17886E-02 608 0.975E-01 0.241E-01
DAV: 12 -0.888791771427E+02 0.28665E-03 -0.45524E-03 736 0.434E-01 0.166E-01
DAV: 13 -0.888818160274E+02 -0.26389E-02 -0.64559E-03 682 0.494E-01 0.982E-02
DAV: 14 -0.888849834691E+02 -0.31674E-02 -0.14558E-03 633 0.214E-01 0.104E-01
DAV: 15 -0.888866684190E+02 -0.16849E-02 -0.10841E-03 880 0.231E-01 0.317E-02
DAV: 16 -0.888885236680E+02 -0.18552E-02 -0.29680E-04 661 0.899E-02 0.254E-02
DAV: 17 -0.888900796504E+02 -0.15560E-02 -0.14291E-04 602 0.462E-02 0.173E-02
DAV: 18 -0.888907631832E+02 -0.68353E-03 -0.10771E-04 773 0.612E-02 0.101E-02
DAV: 19 -0.888909860170E+02 -0.22283E-03 -0.17437E-05 520 0.282E-02 0.605E-03
DAV: 20 -0.888911183708E+02 -0.13235E-03 -0.33343E-05 580 0.304E-02 0.681E-03
DAV: 21 -0.888911495863E+02 -0.31216E-04 -0.31196E-06 512 0.161E-02 0.342E-03
DAV: 22 -0.888911748252E+02 -0.25239E-04 -0.10303E-05 425 0.180E-02 0.353E-03
DAV: 23 -0.888911854715E+02 -0.10646E-04 -0.17130E-06 488 0.845E-03 0.241E-03
DAV: 24 -0.888911897284E+02 -0.42568E-05 -0.20520E-06 442 0.813E-03
1 F= -.88891190E+02 E0= -.88900216E+02 d E =0.270774E-01