./iterations/neb0_image04_iter245_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 0.366844028113E+03 0.36684E+03 -0.14293E+04 624 0.799E+02
DAV: 2 0.110177030690E+01 -0.36574E+03 -0.35460E+03 866 0.195E+02
DAV: 3 -0.960989163314E+02 -0.97201E+02 -0.96912E+02 672 0.116E+02
DAV: 4 -0.100280212436E+03 -0.41813E+01 -0.41724E+01 704 0.273E+01
DAV: 5 -0.100362080275E+03 -0.81868E-01 -0.81839E-01 736 0.341E+00 0.223E+01
DAV: 6 -0.916691716642E+02 0.86929E+01 -0.31242E+01 690 0.299E+01 0.117E+01
DAV: 7 -0.908206328588E+02 0.84854E+00 -0.18054E+00 704 0.657E+00 0.485E+00
DAV: 8 -0.904123421175E+02 0.40829E+00 -0.54502E-01 704 0.456E+00 0.179E+00
DAV: 9 -0.903227075720E+02 0.89635E-01 -0.14667E-01 728 0.223E+00 0.617E-01
DAV: 10 -0.903048650473E+02 0.17843E-01 -0.40979E-02 712 0.106E+00 0.363E-01
DAV: 11 -0.903069059466E+02 -0.20409E-02 -0.16391E-02 712 0.677E-01 0.294E-01
DAV: 12 -0.903091458285E+02 -0.22399E-02 -0.41594E-03 685 0.596E-01 0.163E-01
DAV: 13 -0.903123331785E+02 -0.31874E-02 -0.33289E-03 628 0.396E-01 0.109E-01
DAV: 14 -0.903160502039E+02 -0.37170E-02 -0.19617E-03 628 0.252E-01 0.529E-02
DAV: 15 -0.903186834902E+02 -0.26333E-02 -0.72131E-04 664 0.130E-01 0.565E-02
DAV: 16 -0.903209312970E+02 -0.22478E-02 -0.60426E-04 848 0.199E-01 0.435E-02
DAV: 17 -0.903220790653E+02 -0.11478E-02 -0.25123E-04 669 0.778E-02 0.370E-02
DAV: 18 -0.903226271837E+02 -0.54812E-03 -0.14300E-04 781 0.846E-02 0.180E-02
DAV: 19 -0.903228747987E+02 -0.24761E-03 -0.69221E-05 663 0.493E-02 0.117E-02
DAV: 20 -0.903230267004E+02 -0.15190E-03 -0.12877E-05 463 0.188E-02 0.967E-03
DAV: 21 -0.903231346336E+02 -0.10793E-03 -0.23753E-05 503 0.260E-02 0.439E-03
DAV: 22 -0.903231664769E+02 -0.31843E-04 -0.53384E-06 488 0.120E-02 0.276E-03
DAV: 23 -0.903231753129E+02 -0.88359E-05 -0.18663E-06 455 0.744E-03
1 F= -.90323175E+02 E0= -.90331244E+02 d E =0.242069E-01