./iterations/neb0_image04_iter39_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 0.373035374775E+03 0.37304E+03 -0.14329E+04 632 0.799E+02
DAV: 2 0.484024947039E+01 -0.36820E+03 -0.35624E+03 869 0.195E+02
DAV: 3 -0.948781605312E+02 -0.99718E+02 -0.99374E+02 653 0.117E+02
DAV: 4 -0.995546586437E+02 -0.46765E+01 -0.46575E+01 720 0.293E+01
DAV: 5 -0.996464681597E+02 -0.91810E-01 -0.91772E-01 725 0.372E+00 0.225E+01
DAV: 6 -0.910261225996E+02 0.86203E+01 -0.30078E+01 706 0.297E+01 0.117E+01
DAV: 7 -0.901530468440E+02 0.87308E+00 -0.17770E+00 704 0.631E+00 0.483E+00
DAV: 8 -0.897533186516E+02 0.39973E+00 -0.57586E-01 712 0.437E+00 0.170E+00
DAV: 9 -0.896633847116E+02 0.89934E-01 -0.13350E-01 728 0.185E+00 0.537E-01
DAV: 10 -0.896524447621E+02 0.10940E-01 -0.19155E-02 720 0.729E-01 0.329E-01
DAV: 11 -0.896522890922E+02 0.15567E-03 -0.15777E-02 664 0.677E-01 0.218E-01
DAV: 12 -0.896544542008E+02 -0.21651E-02 -0.25109E-03 672 0.367E-01 0.128E-01
DAV: 13 -0.896592677415E+02 -0.48135E-02 -0.50257E-03 603 0.416E-01 0.120E-01
DAV: 14 -0.896614937988E+02 -0.22261E-02 -0.10915E-03 688 0.220E-01 0.624E-02
DAV: 15 -0.896649009564E+02 -0.34072E-02 -0.12303E-03 649 0.220E-01 0.473E-02
DAV: 16 -0.896665003354E+02 -0.15994E-02 -0.17744E-04 765 0.101E-01 0.288E-02
DAV: 17 -0.896680331745E+02 -0.15328E-02 -0.39586E-04 671 0.108E-01 0.235E-02
DAV: 18 -0.896686558369E+02 -0.62266E-03 -0.60296E-05 690 0.602E-02 0.139E-02
DAV: 19 -0.896688716943E+02 -0.21586E-03 -0.66911E-05 696 0.454E-02 0.971E-03
DAV: 20 -0.896690923882E+02 -0.22069E-03 -0.19355E-05 492 0.270E-02 0.438E-03
DAV: 21 -0.896691477399E+02 -0.55352E-04 -0.91848E-06 493 0.155E-02 0.278E-03
DAV: 22 -0.896691934692E+02 -0.45729E-04 -0.53661E-06 405 0.117E-02 0.118E-03
DAV: 23 -0.896692096605E+02 -0.16191E-04 -0.28589E-06 466 0.696E-03 0.193E-03
DAV: 24 -0.896692116725E+02 -0.20119E-05 -0.62584E-07 528 0.558E-03
1 F= -.89669212E+02 E0= -.89680848E+02 d E =0.349098E-01