iterations/neb0_image06_iter116_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 0.376079288032E+03 0.37608E+03 -0.14314E+04 632 0.799E+02
DAV: 2 0.375171333168E+01 -0.37233E+03 -0.36042E+03 882 0.195E+02
DAV: 3 -0.955530681159E+02 -0.99305E+02 -0.98978E+02 640 0.117E+02
DAV: 4 -0.100328125865E+03 -0.47751E+01 -0.47627E+01 704 0.298E+01
DAV: 5 -0.100425951465E+03 -0.97826E-01 -0.97777E-01 728 0.381E+00 0.227E+01
DAV: 6 -0.918197663948E+02 0.86062E+01 -0.30671E+01 692 0.305E+01 0.118E+01
DAV: 7 -0.909923275846E+02 0.82744E+00 -0.17427E+00 720 0.630E+00 0.480E+00
DAV: 8 -0.906144851041E+02 0.37784E+00 -0.49671E-01 728 0.396E+00 0.168E+00
DAV: 9 -0.905233264737E+02 0.91159E-01 -0.13966E-01 717 0.170E+00 0.419E-01
DAV: 10 -0.905142181042E+02 0.91084E-02 -0.36983E-02 800 0.104E+00 0.291E-01
DAV: 11 -0.905182668343E+02 -0.40487E-02 -0.12065E-02 605 0.681E-01 0.166E-01
DAV: 12 -0.905196288915E+02 -0.13621E-02 -0.20609E-03 690 0.323E-01 0.105E-01
DAV: 13 -0.905240326636E+02 -0.44038E-02 -0.30001E-03 622 0.306E-01 0.904E-02
DAV: 14 -0.905258884849E+02 -0.18558E-02 -0.39956E-04 696 0.132E-01 0.613E-02
DAV: 15 -0.905292469335E+02 -0.33584E-02 -0.14772E-03 634 0.241E-01 0.456E-02
DAV: 16 -0.905305269841E+02 -0.12801E-02 -0.20814E-04 693 0.988E-02 0.304E-02
DAV: 17 -0.905316406678E+02 -0.11137E-02 -0.29502E-04 706 0.103E-01 0.185E-02
DAV: 18 -0.905321274775E+02 -0.48681E-03 -0.64067E-05 701 0.588E-02 0.118E-02
DAV: 19 -0.905323840422E+02 -0.25656E-03 -0.38840E-05 576 0.352E-02 0.816E-03
DAV: 20 -0.905325103268E+02 -0.12628E-03 -0.14433E-05 469 0.211E-02 0.464E-03
DAV: 21 -0.905325728237E+02 -0.62497E-04 -0.10976E-05 429 0.214E-02 0.279E-03
DAV: 22 -0.905325917529E+02 -0.18929E-04 -0.47554E-06 490 0.111E-02 0.405E-03
DAV: 23 -0.905326010477E+02 -0.92948E-05 -0.13048E-06 409 0.651E-03
1 F= -.90532601E+02 E0= -.90542195E+02 d E =0.287816E-01