./iterations/neb0_image06_iter239_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 0.372645528879E+03 0.37265E+03 -0.14313E+04 632 0.799E+02
DAV: 2 0.447937559964E+01 -0.36817E+03 -0.35606E+03 863 0.194E+02
DAV: 3 -0.950797088601E+02 -0.99559E+02 -0.99181E+02 656 0.116E+02
DAV: 4 -0.999455117245E+02 -0.48658E+01 -0.48498E+01 728 0.292E+01
DAV: 5 -0.100048584325E+03 -0.10307E+00 -0.10302E+00 704 0.377E+00 0.223E+01
DAV: 6 -0.915705815187E+02 0.84780E+01 -0.30098E+01 701 0.301E+01 0.117E+01
DAV: 7 -0.907616478195E+02 0.80893E+00 -0.17124E+00 728 0.629E+00 0.479E+00
DAV: 8 -0.903917718549E+02 0.36988E+00 -0.55924E-01 704 0.417E+00 0.165E+00
DAV: 9 -0.903053017207E+02 0.86470E-01 -0.12678E-01 720 0.159E+00 0.427E-01
DAV: 10 -0.902957368616E+02 0.95649E-02 -0.36813E-02 712 0.941E-01 0.289E-01
DAV: 11 -0.903000692751E+02 -0.43324E-02 -0.10609E-02 602 0.542E-01 0.160E-01
DAV: 12 -0.903020122532E+02 -0.19430E-02 -0.26266E-03 640 0.299E-01 0.846E-02
DAV: 13 -0.903062545286E+02 -0.42423E-02 -0.20363E-03 641 0.224E-01 0.708E-02
DAV: 14 -0.903084799445E+02 -0.22254E-02 -0.49002E-04 896 0.178E-01 0.306E-02
DAV: 15 -0.903112053639E+02 -0.27254E-02 -0.45264E-04 622 0.104E-01 0.329E-02
DAV: 16 -0.903125228926E+02 -0.13175E-02 -0.12668E-04 741 0.678E-02 0.183E-02
DAV: 17 -0.903135028121E+02 -0.97992E-03 -0.21121E-04 653 0.732E-02 0.172E-02
DAV: 18 -0.903137282508E+02 -0.22544E-03 -0.27223E-05 565 0.360E-02 0.945E-03
DAV: 19 -0.903138386350E+02 -0.11038E-03 -0.36987E-05 637 0.338E-02 0.623E-03
DAV: 20 -0.903138511446E+02 -0.12510E-04 -0.35404E-06 536 0.156E-02 0.314E-03
DAV: 21 -0.903138968508E+02 -0.45706E-04 -0.97045E-06 409 0.182E-02 0.312E-03
DAV: 22 -0.903139096175E+02 -0.12767E-04 -0.20232E-06 461 0.818E-03 0.206E-03
DAV: 23 -0.903139123564E+02 -0.27389E-05 -0.18318E-06 488 0.895E-03
1 F= -.90313912E+02 E0= -.90318639E+02 d E =0.141806E-01