iterations/neb0_image05_iter258_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 0.368046616752E+03 0.36805E+03 -0.14308E+04 624 0.799E+02
DAV: 2 0.373241165387E+01 -0.36431E+03 -0.35034E+03 853 0.196E+02
DAV: 3 -0.956477845371E+02 -0.99380E+02 -0.99044E+02 672 0.116E+02
DAV: 4 -0.100188867572E+03 -0.45411E+01 -0.45307E+01 704 0.287E+01
DAV: 5 -0.100276179406E+03 -0.87312E-01 -0.87271E-01 736 0.358E+00 0.223E+01
DAV: 6 -0.916283543923E+02 0.86478E+01 -0.31083E+01 696 0.300E+01 0.117E+01
DAV: 7 -0.908001827049E+02 0.82817E+00 -0.17648E+00 712 0.623E+00 0.482E+00
DAV: 8 -0.904231260017E+02 0.37706E+00 -0.54005E-01 736 0.426E+00 0.167E+00
DAV: 9 -0.903357611501E+02 0.87365E-01 -0.13022E-01 720 0.167E+00 0.433E-01
DAV: 10 -0.903281339299E+02 0.76272E-02 -0.44013E-02 720 0.119E+00 0.325E-01
DAV: 11 -0.903311912115E+02 -0.30573E-02 -0.63046E-03 608 0.518E-01 0.146E-01
DAV: 12 -0.903336392635E+02 -0.24481E-02 -0.61738E-03 624 0.439E-01 0.129E-01
DAV: 13 -0.903357373059E+02 -0.20980E-02 -0.11453E-03 720 0.217E-01 0.902E-02
DAV: 14 -0.903401002314E+02 -0.43629E-02 -0.27630E-03 627 0.305E-01 0.740E-02
DAV: 15 -0.903425337835E+02 -0.24336E-02 -0.42185E-04 717 0.132E-01 0.555E-02
DAV: 16 -0.903446820922E+02 -0.21483E-02 -0.11622E-03 664 0.202E-01 0.381E-02
DAV: 17 -0.903455653067E+02 -0.88321E-03 -0.16380E-04 696 0.863E-02 0.325E-02
DAV: 18 -0.903458556172E+02 -0.29031E-03 -0.68263E-05 696 0.475E-02 0.170E-02
DAV: 19 -0.903463225008E+02 -0.46688E-03 -0.86736E-05 614 0.473E-02 0.688E-03
DAV: 20 -0.903463850816E+02 -0.62581E-04 -0.11010E-05 504 0.199E-02 0.713E-03
DAV: 21 -0.903464520928E+02 -0.67011E-04 -0.14443E-05 419 0.220E-02 0.723E-03
DAV: 22 -0.903464755131E+02 -0.23420E-04 -0.50574E-06 474 0.164E-02 0.504E-03
DAV: 23 -0.903464835922E+02 -0.80791E-05 -0.11886E-05 500 0.198E-02
1 F= -.90346484E+02 E0= -.90354898E+02 d E =0.252447E-01