./iterations/neb0_image05_iter139_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 0.368183104905E+03 0.36818E+03 -0.14339E+04 640 0.799E+02
DAV: 2 0.292657507664E+01 -0.36526E+03 -0.35227E+03 874 0.193E+02
DAV: 3 -0.944360323638E+02 -0.97363E+02 -0.96980E+02 632 0.115E+02
DAV: 4 -0.992115811542E+02 -0.47755E+01 -0.47624E+01 728 0.299E+01
DAV: 5 -0.993118462947E+02 -0.10027E+00 -0.10022E+00 728 0.384E+00 0.221E+01
DAV: 6 -0.907835391289E+02 0.85283E+01 -0.29860E+01 669 0.296E+01 0.115E+01
DAV: 7 -0.899453240125E+02 0.83822E+00 -0.17856E+00 728 0.652E+00 0.476E+00
DAV: 8 -0.895670724508E+02 0.37825E+00 -0.55060E-01 720 0.429E+00 0.172E+00
DAV: 9 -0.894760272853E+02 0.91045E-01 -0.13823E-01 728 0.178E+00 0.530E-01
DAV: 10 -0.894659092117E+02 0.10118E-01 -0.21572E-02 720 0.769E-01 0.317E-01
DAV: 11 -0.894653542406E+02 0.55497E-03 -0.11682E-02 722 0.533E-01 0.177E-01
DAV: 12 -0.894689877364E+02 -0.36335E-02 -0.37762E-03 615 0.384E-01 0.105E-01
DAV: 13 -0.894718627972E+02 -0.28751E-02 -0.85590E-04 687 0.171E-01 0.780E-02
DAV: 14 -0.894761456710E+02 -0.42829E-02 -0.17120E-03 625 0.228E-01 0.477E-02
DAV: 15 -0.894777983701E+02 -0.16527E-02 -0.23175E-04 720 0.112E-01 0.310E-02
DAV: 16 -0.894800866818E+02 -0.22883E-02 -0.56123E-04 743 0.134E-01 0.299E-02
DAV: 17 -0.894809225285E+02 -0.83585E-03 -0.87894E-05 757 0.717E-02 0.167E-02
DAV: 18 -0.894815940375E+02 -0.67151E-03 -0.15904E-04 692 0.708E-02 0.139E-02
DAV: 19 -0.894819087816E+02 -0.31474E-03 -0.33976E-05 562 0.386E-02 0.965E-03
DAV: 20 -0.894819766175E+02 -0.67836E-04 -0.19359E-05 552 0.273E-02 0.431E-03
DAV: 21 -0.894820470984E+02 -0.70481E-04 -0.14531E-05 406 0.219E-02 0.395E-03
DAV: 22 -0.894820756723E+02 -0.28574E-04 -0.46636E-06 441 0.967E-03 0.333E-03
DAV: 23 -0.894820809215E+02 -0.52492E-05 -0.18757E-06 520 0.906E-03
1 F= -.89482081E+02 E0= -.89490047E+02 d E =0.238997E-01