iterations/neb0_image01_iter23_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 0.365625880058E+03 0.36563E+03 -0.14294E+04 624 0.799E+02
DAV: 2 0.266864671961E+01 -0.36296E+03 -0.35081E+03 847 0.195E+02
DAV: 3 -0.957990412780E+02 -0.98468E+02 -0.98137E+02 685 0.116E+02
DAV: 4 -0.100139354449E+03 -0.43403E+01 -0.43306E+01 696 0.276E+01
DAV: 5 -0.100224512245E+03 -0.85158E-01 -0.85112E-01 720 0.346E+00 0.222E+01
DAV: 6 -0.916014686069E+02 0.86230E+01 -0.31187E+01 693 0.299E+01 0.116E+01
DAV: 7 -0.907980230752E+02 0.80345E+00 -0.18276E+00 712 0.633E+00 0.482E+00
DAV: 8 -0.904184635110E+02 0.37956E+00 -0.55762E-01 712 0.430E+00 0.169E+00
DAV: 9 -0.903327529265E+02 0.85711E-01 -0.13962E-01 704 0.167E+00 0.435E-01
DAV: 10 -0.903271150521E+02 0.56379E-02 -0.44652E-02 720 0.127E+00 0.316E-01
DAV: 11 -0.903307222308E+02 -0.36072E-02 -0.64378E-03 616 0.470E-01 0.156E-01
DAV: 12 -0.903341973250E+02 -0.34751E-02 -0.73525E-03 610 0.508E-01 0.128E-01
DAV: 13 -0.903370082064E+02 -0.28109E-02 -0.14397E-03 848 0.313E-01 0.747E-02
DAV: 14 -0.903399140304E+02 -0.29058E-02 -0.13013E-03 629 0.170E-01 0.545E-02
DAV: 15 -0.903421165724E+02 -0.22025E-02 -0.38728E-04 688 0.112E-01 0.421E-02
DAV: 16 -0.903434079564E+02 -0.12914E-02 -0.54858E-04 661 0.137E-01 0.288E-02
DAV: 17 -0.903442350043E+02 -0.82705E-03 -0.11805E-04 664 0.702E-02 0.226E-02
DAV: 18 -0.903444609437E+02 -0.22594E-03 -0.54854E-05 688 0.385E-02 0.109E-02
DAV: 19 -0.903446669651E+02 -0.20602E-03 -0.35711E-05 562 0.293E-02 0.392E-03
DAV: 20 -0.903447088054E+02 -0.41840E-04 -0.47419E-06 480 0.130E-02 0.561E-03
DAV: 21 -0.903447497103E+02 -0.40905E-04 -0.57881E-06 418 0.138E-02 0.493E-03
DAV: 22 -0.903447623513E+02 -0.12641E-04 -0.35696E-06 477 0.121E-02 0.306E-03
DAV: 23 -0.903447657063E+02 -0.33551E-05 -0.51244E-06 496 0.136E-02
1 F= -.90344766E+02 E0= -.90351066E+02 d E =0.189004E-01