iterations/neb0_image08_iter30_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 0.376850766033E+03 0.37685E+03 -0.14291E+04 624 0.799E+02
DAV: 2 0.371315819866E+01 -0.37314E+03 -0.35941E+03 869 0.196E+02
DAV: 3 -0.967565649040E+02 -0.10047E+03 -0.10014E+03 680 0.117E+02
DAV: 4 -0.101133214847E+03 -0.43766E+01 -0.43660E+01 704 0.278E+01
DAV: 5 -0.101216720559E+03 -0.83506E-01 -0.83471E-01 736 0.350E+00 0.229E+01
DAV: 6 -0.924625062940E+02 0.87542E+01 -0.30752E+01 688 0.302E+01 0.120E+01
DAV: 7 -0.915561456285E+02 0.90636E+00 -0.17192E+00 720 0.618E+00 0.481E+00
DAV: 8 -0.911757648593E+02 0.38038E+00 -0.55132E-01 712 0.399E+00 0.165E+00
DAV: 9 -0.910912113492E+02 0.84554E-01 -0.13180E-01 704 0.155E+00 0.434E-01
DAV: 10 -0.910815241568E+02 0.96872E-02 -0.45102E-02 752 0.112E+00 0.301E-01
DAV: 11 -0.910864032130E+02 -0.48791E-02 -0.14173E-02 607 0.623E-01 0.167E-01
DAV: 12 -0.910889174542E+02 -0.25142E-02 -0.24708E-03 640 0.216E-01 0.126E-01
DAV: 13 -0.910934462907E+02 -0.45288E-02 -0.36468E-03 650 0.316E-01 0.684E-02
DAV: 14 -0.910959661981E+02 -0.25199E-02 -0.67819E-04 680 0.152E-01 0.268E-02
DAV: 15 -0.910982596109E+02 -0.22934E-02 -0.27297E-04 637 0.673E-02 0.164E-02
DAV: 16 -0.910991782260E+02 -0.91862E-03 -0.69229E-05 613 0.411E-02 0.105E-02
DAV: 17 -0.910998034353E+02 -0.62521E-03 -0.74903E-05 564 0.349E-02 0.751E-03
DAV: 18 -0.910999101069E+02 -0.10667E-03 -0.75076E-06 496 0.248E-02 0.317E-03
DAV: 19 -0.910999897217E+02 -0.79615E-04 -0.22834E-05 459 0.224E-02 0.635E-03
DAV: 20 -0.910999909543E+02 -0.12325E-05 -0.17557E-06 544 0.125E-02
1 F= -.91099991E+02 E0= -.91104864E+02 d E =0.146206E-01