iterations/neb0_image02_iter211_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 0.366659021214E+03 0.36666E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.132921886243E+01 -0.36533E+03 -0.35438E+03 869 0.196E+02
DAV: 3 -0.957366764808E+02 -0.97066E+02 -0.96734E+02 648 0.116E+02
DAV: 4 -0.100243415298E+03 -0.45067E+01 -0.44960E+01 704 0.289E+01
DAV: 5 -0.100331856331E+03 -0.88441E-01 -0.88402E-01 736 0.363E+00 0.222E+01
DAV: 6 -0.916683833704E+02 0.86635E+01 -0.30956E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908479038190E+02 0.82048E+00 -0.18325E+00 712 0.637E+00 0.484E+00
DAV: 8 -0.904674482005E+02 0.38046E+00 -0.55439E-01 696 0.432E+00 0.169E+00
DAV: 9 -0.903823017275E+02 0.85146E-01 -0.13485E-01 720 0.168E+00 0.428E-01
DAV: 10 -0.903773541425E+02 0.49476E-02 -0.46384E-02 704 0.119E+00 0.326E-01
DAV: 11 -0.903814119430E+02 -0.40578E-02 -0.81135E-03 680 0.644E-01 0.113E-01
DAV: 12 -0.903836478718E+02 -0.22359E-02 -0.42603E-03 648 0.312E-01 0.113E-01
DAV: 13 -0.903871426587E+02 -0.34948E-02 -0.14999E-03 829 0.265E-01 0.827E-02
DAV: 14 -0.903901047699E+02 -0.29621E-02 -0.10249E-03 637 0.141E-01 0.525E-02
DAV: 15 -0.903920838741E+02 -0.19791E-02 -0.27806E-04 677 0.892E-02 0.294E-02
DAV: 16 -0.903935185908E+02 -0.14347E-02 -0.37432E-04 680 0.105E-01 0.270E-02
DAV: 17 -0.903939857925E+02 -0.46720E-03 -0.70512E-05 744 0.569E-02 0.173E-02
DAV: 18 -0.903942770880E+02 -0.29130E-03 -0.93340E-05 653 0.511E-02 0.124E-02
DAV: 19 -0.903943562891E+02 -0.79201E-04 -0.11298E-05 488 0.289E-02 0.682E-03
DAV: 20 -0.903944436581E+02 -0.87369E-04 -0.39397E-05 564 0.340E-02 0.763E-03
DAV: 21 -0.903944707792E+02 -0.27121E-04 -0.51850E-06 496 0.215E-02 0.296E-03
DAV: 22 -0.903944862802E+02 -0.15501E-04 -0.99085E-06 429 0.174E-02 0.394E-03
DAV: 23 -0.903944915771E+02 -0.52969E-05 -0.13443E-06 482 0.682E-03
1 F= -.90394492E+02 E0= -.90402380E+02 d E =0.236642E-01