./iterations/neb0_image09_iter8_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 0.372375658904E+03 0.37238E+03 -0.14278E+04 624 0.799E+02
DAV: 2 0.215232887663E+01 -0.37022E+03 -0.35780E+03 877 0.196E+02
DAV: 3 -0.967543442531E+02 -0.98907E+02 -0.98585E+02 680 0.116E+02
DAV: 4 -0.101044937712E+03 -0.42906E+01 -0.42802E+01 704 0.275E+01
DAV: 5 -0.101129587390E+03 -0.84650E-01 -0.84599E-01 736 0.349E+00 0.226E+01
DAV: 6 -0.924398148703E+02 0.86898E+01 -0.30854E+01 704 0.297E+01 0.118E+01
DAV: 7 -0.915602647031E+02 0.87955E+00 -0.17536E+00 720 0.625E+00 0.477E+00
DAV: 8 -0.911817262232E+02 0.37854E+00 -0.55669E-01 712 0.404E+00 0.163E+00
DAV: 9 -0.911016590048E+02 0.80067E-01 -0.13180E-01 712 0.159E+00 0.432E-01
DAV: 10 -0.910933075345E+02 0.83515E-02 -0.34333E-02 744 0.957E-01 0.275E-01
DAV: 11 -0.910974483089E+02 -0.41408E-02 -0.10944E-02 616 0.576E-01 0.149E-01
DAV: 12 -0.910995182057E+02 -0.20699E-02 -0.16527E-03 664 0.244E-01 0.965E-02
DAV: 13 -0.911042231461E+02 -0.47049E-02 -0.33922E-03 627 0.335E-01 0.722E-02
DAV: 14 -0.911054822540E+02 -0.12591E-02 -0.51546E-04 768 0.179E-01 0.411E-02
DAV: 15 -0.911081793737E+02 -0.26971E-02 -0.82781E-04 644 0.168E-01 0.364E-02
DAV: 16 -0.911093444525E+02 -0.11651E-02 -0.13413E-04 736 0.820E-02 0.241E-02
DAV: 17 -0.911103498614E+02 -0.10054E-02 -0.20709E-04 749 0.832E-02 0.113E-02
DAV: 18 -0.911107846826E+02 -0.43482E-03 -0.41829E-05 661 0.308E-02 0.124E-02
DAV: 19 -0.911109122195E+02 -0.12754E-03 -0.11637E-05 480 0.207E-02 0.672E-03
DAV: 20 -0.911109994652E+02 -0.87246E-04 -0.27156E-05 470 0.282E-02 0.491E-03
DAV: 21 -0.911110087540E+02 -0.92888E-05 -0.25390E-06 528 0.117E-02
1 F= -.91111009E+02 E0= -.91115017E+02 d E =0.120256E-01