./iterations/neb0_image08_iter254_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 0.374414930087E+03 0.37441E+03 -0.14284E+04 624 0.799E+02
DAV: 2 0.394832839037E+01 -0.37047E+03 -0.35809E+03 869 0.196E+02
DAV: 3 -0.965634063589E+02 -0.10051E+03 -0.10018E+03 653 0.117E+02
DAV: 4 -0.101268561258E+03 -0.47052E+01 -0.46932E+01 720 0.293E+01
DAV: 5 -0.101361068228E+03 -0.92507E-01 -0.92456E-01 728 0.371E+00 0.228E+01
DAV: 6 -0.926592723204E+02 0.87018E+01 -0.30990E+01 728 0.301E+01 0.119E+01
DAV: 7 -0.917928219918E+02 0.86645E+00 -0.17291E+00 728 0.614E+00 0.480E+00
DAV: 8 -0.914186859020E+02 0.37414E+00 -0.53956E-01 728 0.395E+00 0.162E+00
DAV: 9 -0.913379824773E+02 0.80703E-01 -0.13163E-01 736 0.154E+00 0.419E-01
DAV: 10 -0.913296897766E+02 0.82927E-02 -0.45047E-02 728 0.108E+00 0.303E-01
DAV: 11 -0.913345702926E+02 -0.48805E-02 -0.14416E-02 608 0.622E-01 0.155E-01
DAV: 12 -0.913374322687E+02 -0.28620E-02 -0.27602E-03 626 0.225E-01 0.116E-01
DAV: 13 -0.913412356723E+02 -0.38034E-02 -0.29947E-03 642 0.286E-01 0.600E-02
DAV: 14 -0.913442697411E+02 -0.30341E-02 -0.82658E-04 664 0.166E-01 0.232E-02
DAV: 15 -0.913458651035E+02 -0.15954E-02 -0.16873E-04 664 0.623E-02 0.164E-02
DAV: 16 -0.913468727120E+02 -0.10076E-02 -0.11360E-04 656 0.584E-02 0.960E-03
DAV: 17 -0.913473167763E+02 -0.44406E-03 -0.43038E-05 648 0.270E-02 0.949E-03
DAV: 18 -0.913474368828E+02 -0.12011E-03 -0.10532E-05 496 0.218E-02 0.412E-03
DAV: 19 -0.913475416923E+02 -0.10481E-03 -0.21362E-05 487 0.210E-02 0.491E-03
DAV: 20 -0.913475490494E+02 -0.73571E-05 -0.15979E-06 528 0.110E-02
1 F= -.91347549E+02 E0= -.91352615E+02 d E =0.151985E-01