iterations/neb0_image06_iter206_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 0.370581039302E+03 0.37058E+03 -0.14346E+04 640 0.799E+02
DAV: 2 0.440394614895E+01 -0.36618E+03 -0.35415E+03 858 0.193E+02
DAV: 3 -0.955928568879E+02 -0.99997E+02 -0.99662E+02 664 0.116E+02
DAV: 4 -0.100373579470E+03 -0.47807E+01 -0.47658E+01 728 0.289E+01
DAV: 5 -0.100472162286E+03 -0.98583E-01 -0.98523E-01 736 0.370E+00 0.225E+01
DAV: 6 -0.919120986645E+02 0.85601E+01 -0.30611E+01 685 0.302E+01 0.118E+01
DAV: 7 -0.910947197462E+02 0.81738E+00 -0.17489E+00 704 0.627E+00 0.480E+00
DAV: 8 -0.907201709547E+02 0.37455E+00 -0.53828E-01 704 0.409E+00 0.167E+00
DAV: 9 -0.906294350119E+02 0.90736E-01 -0.12945E-01 704 0.157E+00 0.422E-01
DAV: 10 -0.906191126823E+02 0.10322E-01 -0.38327E-02 744 0.971E-01 0.287E-01
DAV: 11 -0.906234005555E+02 -0.42879E-02 -0.96905E-03 599 0.506E-01 0.145E-01
DAV: 12 -0.906261469649E+02 -0.27464E-02 -0.22988E-03 634 0.257E-01 0.843E-02
DAV: 13 -0.906301697303E+02 -0.40228E-02 -0.14571E-03 636 0.175E-01 0.619E-02
DAV: 14 -0.906334953857E+02 -0.33257E-02 -0.92688E-04 728 0.215E-01 0.370E-02
DAV: 15 -0.906353281968E+02 -0.18328E-02 -0.28655E-04 682 0.930E-02 0.390E-02
DAV: 16 -0.906366487222E+02 -0.13205E-02 -0.33462E-04 706 0.112E-01 0.178E-02
DAV: 17 -0.906373258649E+02 -0.67714E-03 -0.10846E-04 669 0.562E-02 0.138E-02
DAV: 18 -0.906375813145E+02 -0.25545E-03 -0.24035E-05 536 0.220E-02 0.813E-03
DAV: 19 -0.906377135340E+02 -0.13222E-03 -0.20314E-05 481 0.220E-02 0.226E-03
DAV: 20 -0.906377404583E+02 -0.26924E-04 -0.40038E-06 480 0.100E-02 0.164E-03
DAV: 21 -0.906377633286E+02 -0.22870E-04 -0.34344E-06 403 0.637E-03 0.182E-03
DAV: 22 -0.906377649674E+02 -0.16389E-05 -0.48390E-07 520 0.342E-03
1 F= -.90637765E+02 E0= -.90642724E+02 d E =0.148769E-01