iterations/neb0_image03_iter125_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 0.366586353543E+03 0.36659E+03 -0.14319E+04 632 0.799E+02
DAV: 2 0.222947667530E+01 -0.36436E+03 -0.35317E+03 861 0.195E+02
DAV: 3 -0.958552082946E+02 -0.98085E+02 -0.97780E+02 677 0.116E+02
DAV: 4 -0.100184754709E+03 -0.43295E+01 -0.43200E+01 704 0.275E+01
DAV: 5 -0.100270528216E+03 -0.85774E-01 -0.85738E-01 736 0.346E+00 0.222E+01
DAV: 6 -0.916849262392E+02 0.85856E+01 -0.30724E+01 680 0.296E+01 0.116E+01
DAV: 7 -0.908424687731E+02 0.84246E+00 -0.18209E+00 712 0.639E+00 0.482E+00
DAV: 8 -0.904410493532E+02 0.40142E+00 -0.56309E-01 704 0.432E+00 0.167E+00
DAV: 9 -0.903458497305E+02 0.95200E-01 -0.13010E-01 704 0.185E+00 0.453E-01
DAV: 10 -0.903376637014E+02 0.81860E-02 -0.36882E-02 720 0.963E-01 0.331E-01
DAV: 11 -0.903404266590E+02 -0.27630E-02 -0.78445E-03 741 0.622E-01 0.153E-01
DAV: 12 -0.903422968217E+02 -0.18702E-02 -0.30415E-03 645 0.364E-01 0.113E-01
DAV: 13 -0.903470780156E+02 -0.47812E-02 -0.30623E-03 631 0.296E-01 0.854E-02
DAV: 14 -0.903512149999E+02 -0.41370E-02 -0.10464E-03 647 0.168E-01 0.419E-02
DAV: 15 -0.903531862305E+02 -0.19712E-02 -0.31043E-04 696 0.102E-01 0.225E-02
DAV: 16 -0.903549115689E+02 -0.17253E-02 -0.13839E-04 669 0.524E-02 0.139E-02
DAV: 17 -0.903559855734E+02 -0.10740E-02 -0.11209E-04 664 0.451E-02 0.643E-03
DAV: 18 -0.903562452873E+02 -0.25971E-03 -0.23645E-05 568 0.197E-02 0.545E-03
DAV: 19 -0.903563698520E+02 -0.12456E-03 -0.13855E-05 428 0.267E-02 0.404E-03
DAV: 20 -0.903564153678E+02 -0.45516E-04 -0.83568E-06 464 0.148E-02 0.386E-03
DAV: 21 -0.903564307671E+02 -0.15399E-04 -0.38272E-06 480 0.135E-02 0.201E-03
DAV: 22 -0.903564386823E+02 -0.79152E-05 -0.19899E-06 448 0.767E-03
1 F= -.90356439E+02 E0= -.90365087E+02 d E =0.259455E-01