./iterations/neb0_image09_iter296_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 0.374220020763E+03 0.37422E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.335907575174E+01 -0.37086E+03 -0.35816E+03 866 0.196E+02
DAV: 3 -0.967794663171E+02 -0.10014E+03 -0.99816E+02 664 0.117E+02
DAV: 4 -0.101313936520E+03 -0.45345E+01 -0.45236E+01 720 0.287E+01
DAV: 5 -0.101402460755E+03 -0.88524E-01 -0.88484E-01 736 0.364E+00 0.228E+01
DAV: 6 -0.926875610231E+02 0.87149E+01 -0.31044E+01 728 0.302E+01 0.119E+01
DAV: 7 -0.918117742406E+02 0.87579E+00 -0.17329E+00 728 0.615E+00 0.479E+00
DAV: 8 -0.914349898114E+02 0.37678E+00 -0.54071E-01 704 0.396E+00 0.163E+00
DAV: 9 -0.913530765254E+02 0.81913E-01 -0.13254E-01 720 0.154E+00 0.423E-01
DAV: 10 -0.913448087852E+02 0.82677E-02 -0.47071E-02 776 0.111E+00 0.310E-01
DAV: 11 -0.913495772954E+02 -0.47685E-02 -0.14764E-02 608 0.636E-01 0.150E-01
DAV: 12 -0.913524338958E+02 -0.28566E-02 -0.29777E-03 626 0.231E-01 0.119E-01
DAV: 13 -0.913563877801E+02 -0.39539E-02 -0.29662E-03 709 0.288E-01 0.587E-02
DAV: 14 -0.913594577516E+02 -0.30700E-02 -0.60560E-04 672 0.128E-01 0.276E-02
DAV: 15 -0.913614108823E+02 -0.19531E-02 -0.19928E-04 664 0.607E-02 0.162E-02
DAV: 16 -0.913622510903E+02 -0.84021E-03 -0.13004E-04 664 0.497E-02 0.172E-02
DAV: 17 -0.913625188067E+02 -0.26772E-03 -0.29967E-05 605 0.316E-02 0.834E-03
DAV: 18 -0.913626667826E+02 -0.14798E-03 -0.21242E-05 512 0.199E-02 0.383E-03
DAV: 19 -0.913627031389E+02 -0.36356E-04 -0.77303E-06 512 0.166E-02 0.298E-03
DAV: 20 -0.913627294625E+02 -0.26324E-04 -0.39192E-06 421 0.876E-03 0.319E-03
DAV: 21 -0.913627334452E+02 -0.39827E-05 -0.10499E-06 504 0.636E-03
1 F= -.91362733E+02 E0= -.91367571E+02 d E =0.145135E-01