./iterations/neb0_image09_iter11_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 0.372147207976E+03 0.37215E+03 -0.14269E+04 624 0.799E+02
DAV: 2 0.225037452871E+01 -0.36990E+03 -0.35750E+03 874 0.195E+02
DAV: 3 -0.964101291601E+02 -0.98661E+02 -0.98329E+02 656 0.116E+02
DAV: 4 -0.100975156735E+03 -0.45650E+01 -0.45541E+01 704 0.289E+01
DAV: 5 -0.101066750676E+03 -0.91594E-01 -0.91542E-01 736 0.370E+00 0.225E+01
DAV: 6 -0.924845243840E+02 0.85822E+01 -0.30814E+01 704 0.299E+01 0.117E+01
DAV: 7 -0.916520162286E+02 0.83251E+00 -0.17220E+00 712 0.625E+00 0.477E+00
DAV: 8 -0.912839645323E+02 0.36805E+00 -0.55762E-01 712 0.404E+00 0.163E+00
DAV: 9 -0.912037116955E+02 0.80253E-01 -0.12726E-01 712 0.156E+00 0.423E-01
DAV: 10 -0.911952613912E+02 0.84503E-02 -0.35829E-02 752 0.953E-01 0.282E-01
DAV: 11 -0.912000833128E+02 -0.48219E-02 -0.12631E-02 605 0.606E-01 0.169E-01
DAV: 12 -0.912018583368E+02 -0.17750E-02 -0.19828E-03 680 0.259E-01 0.970E-02
DAV: 13 -0.912064989969E+02 -0.46407E-02 -0.34191E-03 630 0.327E-01 0.751E-02
DAV: 14 -0.912075955148E+02 -0.10965E-02 -0.40779E-04 776 0.162E-01 0.424E-02
DAV: 15 -0.912104277263E+02 -0.28322E-02 -0.10684E-03 623 0.200E-01 0.444E-02
DAV: 16 -0.912113678600E+02 -0.94013E-03 -0.18738E-04 752 0.104E-01 0.243E-02
DAV: 17 -0.912123971027E+02 -0.10292E-02 -0.19650E-04 634 0.740E-02 0.968E-03
DAV: 18 -0.912128327672E+02 -0.43566E-03 -0.63958E-05 669 0.397E-02 0.156E-02
DAV: 19 -0.912129520947E+02 -0.11933E-03 -0.85720E-06 496 0.247E-02 0.965E-03
DAV: 20 -0.912130246843E+02 -0.72590E-04 -0.50836E-05 615 0.413E-02 0.755E-03
DAV: 21 -0.912130316219E+02 -0.69376E-05 -0.48271E-06 520 0.188E-02
1 F= -.91213032E+02 E0= -.91217822E+02 d E =0.143705E-01