./iterations/neb0_image02_iter30_OSZICAR.out output for 40: 572-->565: F2 + F3Si-NF-SiF3, to SiF4 + F3Si-NF2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.804098887697E+03 0.80410E+03 -0.25746E+04 896 0.101E+03
DAV: 2 0.108211220920E+03 -0.69589E+03 -0.67895E+03 1152 0.280E+02
DAV: 3 -0.596283219601E+02 -0.16784E+03 -0.16739E+03 848 0.154E+02
DAV: 4 -0.647301046147E+02 -0.51018E+01 -0.50882E+01 907 0.292E+01
DAV: 5 -0.647862369957E+02 -0.56132E-01 -0.56029E-01 849 0.317E+00 0.202E+01
DAV: 6 -0.596403851948E+02 0.51459E+01 -0.17713E+01 824 0.234E+01 0.105E+01
DAV: 7 -0.593855713211E+02 0.25481E+00 -0.13375E+00 867 0.638E+00 0.424E+00
DAV: 8 -0.593644383166E+02 0.21133E-01 -0.18461E-01 864 0.271E+00 0.120E+00
DAV: 9 -0.593694722746E+02 -0.50340E-02 -0.23160E-02 872 0.147E+00 0.365E-01
DAV: 10 -0.593715391868E+02 -0.20669E-02 -0.65475E-03 854 0.504E-01 0.179E-01
DAV: 11 -0.593730059082E+02 -0.14667E-02 -0.13244E-03 809 0.277E-01 0.647E-02
DAV: 12 -0.593744631710E+02 -0.14573E-02 -0.26533E-04 834 0.146E-01 0.284E-02
DAV: 13 -0.593760083556E+02 -0.15452E-02 -0.22775E-04 775 0.116E-01 0.220E-02
DAV: 14 -0.593770583081E+02 -0.10500E-02 -0.15481E-04 785 0.816E-02 0.115E-02
DAV: 15 -0.593775175767E+02 -0.45927E-03 -0.43716E-05 767 0.383E-02 0.695E-03
DAV: 16 -0.593776611869E+02 -0.14361E-03 -0.69495E-06 593 0.165E-02 0.467E-03
DAV: 17 -0.593777892465E+02 -0.12806E-03 -0.68104E-06 563 0.122E-02 0.252E-03
DAV: 18 -0.593778867467E+02 -0.97500E-04 -0.58461E-06 583 0.910E-03 0.141E-03
DAV: 19 -0.593779292523E+02 -0.42506E-04 -0.25531E-06 549 0.614E-03 0.100E-03
DAV: 20 -0.593779459366E+02 -0.16684E-04 -0.98586E-07 455 0.368E-03 0.433E-04
DAV: 21 -0.593779534428E+02 -0.75063E-05 -0.57005E-07 482 0.285E-03
1 F= -.59377953E+02 E0= -.59381819E+02 d E =0.115964E-01