iterations/neb0_image04_iter9_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 0.358238536896E+03 0.35824E+03 -0.14249E+04 632 0.799E+02
DAV: 2 0.620887671392E+01 -0.35203E+03 -0.33911E+03 834 0.192E+02
DAV: 3 -0.923013009755E+02 -0.98510E+02 -0.98007E+02 696 0.115E+02
DAV: 4 -0.970366720538E+02 -0.47354E+01 -0.47194E+01 696 0.277E+01
DAV: 5 -0.971388487506E+02 -0.10218E+00 -0.10213E+00 720 0.358E+00 0.213E+01
DAV: 6 -0.887368357858E+02 0.84020E+01 -0.31417E+01 712 0.300E+01 0.110E+01
DAV: 7 -0.880068465467E+02 0.72999E+00 -0.16174E+00 728 0.670E+00 0.476E+00
DAV: 8 -0.876440925424E+02 0.36275E+00 -0.65961E-01 712 0.447E+00 0.167E+00
DAV: 9 -0.875652146175E+02 0.78878E-01 -0.13872E-01 704 0.180E+00 0.468E-01
DAV: 10 -0.875582678619E+02 0.69468E-02 -0.25402E-02 736 0.803E-01 0.286E-01
DAV: 11 -0.875608340675E+02 -0.25662E-02 -0.11762E-02 608 0.645E-01 0.152E-01
DAV: 12 -0.875624071870E+02 -0.15731E-02 -0.19872E-03 744 0.312E-01 0.110E-01
DAV: 13 -0.875673031573E+02 -0.48960E-02 -0.49623E-03 681 0.464E-01 0.105E-01
DAV: 14 -0.875692906721E+02 -0.19875E-02 -0.13537E-03 952 0.260E-01 0.457E-02
DAV: 15 -0.875715801496E+02 -0.22895E-02 -0.12104E-03 666 0.209E-01 0.626E-02
DAV: 16 -0.875728184020E+02 -0.12383E-02 -0.38675E-04 941 0.147E-01 0.297E-02
DAV: 17 -0.875734691054E+02 -0.65070E-03 -0.25078E-04 704 0.969E-02 0.158E-02
DAV: 18 -0.875742339461E+02 -0.76484E-03 -0.95542E-05 644 0.441E-02 0.169E-02
DAV: 19 -0.875743783679E+02 -0.14442E-03 -0.12849E-05 509 0.309E-02 0.856E-03
DAV: 20 -0.875745454903E+02 -0.16712E-03 -0.66967E-05 633 0.437E-02 0.991E-03
DAV: 21 -0.875745629052E+02 -0.17415E-04 -0.57048E-06 528 0.226E-02 0.457E-03
DAV: 22 -0.875745954382E+02 -0.32533E-04 -0.84794E-06 414 0.139E-02 0.155E-03
DAV: 23 -0.875746013776E+02 -0.59394E-05 -0.16323E-06 496 0.610E-03
1 F= -.87574601E+02 E0= -.87578468E+02 d E =0.116006E-01