iterations/neb0_image06_iter246_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 0.373313203006E+03 0.37331E+03 -0.14318E+04 632 0.799E+02
DAV: 2 0.448922147281E+01 -0.36882E+03 -0.35668E+03 863 0.194E+02
DAV: 3 -0.951190639304E+02 -0.99608E+02 -0.99233E+02 648 0.116E+02
DAV: 4 -0.100023935650E+03 -0.49049E+01 -0.48893E+01 728 0.296E+01
DAV: 5 -0.100127225975E+03 -0.10329E+00 -0.10324E+00 704 0.383E+00 0.224E+01
DAV: 6 -0.916099214607E+02 0.85173E+01 -0.29983E+01 696 0.301E+01 0.118E+01
DAV: 7 -0.907784505460E+02 0.83147E+00 -0.17224E+00 720 0.631E+00 0.480E+00
DAV: 8 -0.904046954434E+02 0.37376E+00 -0.57486E-01 712 0.423E+00 0.165E+00
DAV: 9 -0.903181286004E+02 0.86567E-01 -0.12731E-01 720 0.161E+00 0.433E-01
DAV: 10 -0.903083296955E+02 0.97989E-02 -0.33749E-02 720 0.904E-01 0.284E-01
DAV: 11 -0.903123510299E+02 -0.40213E-02 -0.10015E-02 602 0.535E-01 0.158E-01
DAV: 12 -0.903144373709E+02 -0.20863E-02 -0.32352E-03 640 0.339E-01 0.864E-02
DAV: 13 -0.903184756659E+02 -0.40383E-02 -0.21143E-03 617 0.223E-01 0.787E-02
DAV: 14 -0.903210629140E+02 -0.25872E-02 -0.71717E-04 717 0.192E-01 0.286E-02
DAV: 15 -0.903237060185E+02 -0.26431E-02 -0.43142E-04 620 0.102E-01 0.369E-02
DAV: 16 -0.903252515215E+02 -0.15455E-02 -0.27026E-04 738 0.111E-01 0.188E-02
DAV: 17 -0.903260546845E+02 -0.80316E-03 -0.12258E-04 669 0.549E-02 0.157E-02
DAV: 18 -0.903262777880E+02 -0.22310E-03 -0.25840E-05 557 0.260E-02 0.956E-03
DAV: 19 -0.903264323511E+02 -0.15456E-03 -0.30601E-05 519 0.295E-02 0.349E-03
DAV: 20 -0.903264632421E+02 -0.30891E-04 -0.34850E-06 480 0.112E-02 0.256E-03
DAV: 21 -0.903264800919E+02 -0.16850E-04 -0.26892E-06 401 0.809E-03 0.858E-04
DAV: 22 -0.903264861529E+02 -0.60609E-05 -0.90171E-07 461 0.408E-03
1 F= -.90326486E+02 E0= -.90330983E+02 d E =0.134914E-01