./iterations/neb0_image09_iter93_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 0.374409152377E+03 0.37441E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.246800396612E+01 -0.37194E+03 -0.35959E+03 877 0.196E+02
DAV: 3 -0.968498948636E+02 -0.99318E+02 -0.98980E+02 672 0.116E+02
DAV: 4 -0.101229710240E+03 -0.43798E+01 -0.43707E+01 696 0.280E+01
DAV: 5 -0.101315902838E+03 -0.86193E-01 -0.86155E-01 736 0.355E+00 0.227E+01
DAV: 6 -0.926696047300E+02 0.86463E+01 -0.30878E+01 701 0.301E+01 0.119E+01
DAV: 7 -0.918019054637E+02 0.86770E+00 -0.17070E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.914242428655E+02 0.37766E+00 -0.54700E-01 712 0.397E+00 0.162E+00
DAV: 9 -0.913422469554E+02 0.81996E-01 -0.13045E-01 704 0.155E+00 0.425E-01
DAV: 10 -0.913333696095E+02 0.88773E-02 -0.46010E-02 776 0.112E+00 0.303E-01
DAV: 11 -0.913377907830E+02 -0.44212E-02 -0.12779E-02 616 0.591E-01 0.140E-01
DAV: 12 -0.913407722493E+02 -0.29815E-02 -0.29691E-03 620 0.243E-01 0.117E-01
DAV: 13 -0.913446210688E+02 -0.38488E-02 -0.16590E-03 720 0.224E-01 0.438E-02
DAV: 14 -0.913478586287E+02 -0.32376E-02 -0.53918E-04 661 0.126E-01 0.336E-02
DAV: 15 -0.913495438658E+02 -0.16852E-02 -0.14855E-04 680 0.687E-02 0.341E-02
DAV: 16 -0.913508170814E+02 -0.12732E-02 -0.35480E-04 650 0.948E-02 0.207E-02
DAV: 17 -0.913510657691E+02 -0.24869E-03 -0.52215E-05 688 0.534E-02 0.125E-02
DAV: 18 -0.913513000923E+02 -0.23432E-03 -0.45831E-05 580 0.321E-02 0.112E-02
DAV: 19 -0.913513828902E+02 -0.82798E-04 -0.82077E-06 480 0.191E-02 0.573E-03
DAV: 20 -0.913514224911E+02 -0.39601E-04 -0.21094E-05 512 0.274E-02 0.534E-03
DAV: 21 -0.913514397174E+02 -0.17226E-04 -0.36646E-06 442 0.162E-02 0.249E-03
DAV: 22 -0.913514444169E+02 -0.46995E-05 -0.26789E-06 466 0.807E-03
1 F= -.91351444E+02 E0= -.91356202E+02 d E =0.142729E-01