iterations/neb0_image04_iter293_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 0.364846346529E+03 0.36485E+03 -0.14301E+04 624 0.799E+02
DAV: 2 0.177332251317E+00 -0.36467E+03 -0.35399E+03 869 0.195E+02
DAV: 3 -0.960560642632E+02 -0.96233E+02 -0.95939E+02 664 0.115E+02
DAV: 4 -0.100298168646E+03 -0.42421E+01 -0.42346E+01 720 0.277E+01
DAV: 5 -0.100381521949E+03 -0.83353E-01 -0.83328E-01 728 0.345E+00 0.223E+01
DAV: 6 -0.916657671776E+02 0.87158E+01 -0.31549E+01 672 0.300E+01 0.117E+01
DAV: 7 -0.908361556748E+02 0.82961E+00 -0.18172E+00 720 0.656E+00 0.485E+00
DAV: 8 -0.904278124073E+02 0.40834E+00 -0.53730E-01 704 0.446E+00 0.178E+00
DAV: 9 -0.903335626027E+02 0.94250E-01 -0.17539E-01 704 0.194E+00 0.522E-01
DAV: 10 -0.903235652628E+02 0.99973E-02 -0.40253E-02 728 0.122E+00 0.340E-01
DAV: 11 -0.903256255192E+02 -0.20603E-02 -0.55266E-03 640 0.517E-01 0.193E-01
DAV: 12 -0.903278320870E+02 -0.22066E-02 -0.29370E-03 616 0.445E-01 0.137E-01
DAV: 13 -0.903308944668E+02 -0.30624E-02 -0.23164E-03 631 0.298E-01 0.950E-02
DAV: 14 -0.903351226675E+02 -0.42282E-02 -0.16223E-03 620 0.234E-01 0.543E-02
DAV: 15 -0.903370271949E+02 -0.19045E-02 -0.39534E-04 680 0.107E-01 0.428E-02
DAV: 16 -0.903394610038E+02 -0.24338E-02 -0.73407E-04 745 0.182E-01 0.363E-02
DAV: 17 -0.903401937396E+02 -0.73274E-03 -0.13702E-04 712 0.812E-02 0.280E-02
DAV: 18 -0.903407577282E+02 -0.56399E-03 -0.21247E-04 702 0.897E-02 0.149E-02
DAV: 19 -0.903412381812E+02 -0.48045E-03 -0.84441E-05 695 0.518E-02 0.105E-02
DAV: 20 -0.903413470053E+02 -0.10882E-03 -0.11221E-05 512 0.202E-02 0.622E-03
DAV: 21 -0.903414449978E+02 -0.97992E-04 -0.24200E-05 483 0.252E-02 0.663E-03
DAV: 22 -0.903414729772E+02 -0.27979E-04 -0.57968E-06 469 0.173E-02 0.243E-03
DAV: 23 -0.903414820134E+02 -0.90362E-05 -0.59136E-06 488 0.135E-02
1 F= -.90341482E+02 E0= -.90349871E+02 d E =0.251664E-01