./iterations/neb0_image01_iter36_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 0.803923097497E+03 0.80392E+03 -0.25776E+04 896 0.101E+03
DAV: 2 0.108103700891E+03 -0.69582E+03 -0.67910E+03 1136 0.281E+02
DAV: 3 -0.599436815262E+02 -0.16805E+03 -0.16759E+03 830 0.154E+02
DAV: 4 -0.649768973612E+02 -0.50332E+01 -0.50116E+01 920 0.295E+01
DAV: 5 -0.650355052086E+02 -0.58608E-01 -0.58419E-01 839 0.320E+00 0.206E+01
DAV: 6 -0.599555804897E+02 0.50799E+01 -0.17662E+01 816 0.212E+01 0.110E+01
DAV: 7 -0.596758802382E+02 0.27970E+00 -0.10075E+00 894 0.552E+00 0.417E+00
DAV: 8 -0.596656206590E+02 0.10260E-01 -0.15269E-01 859 0.236E+00 0.130E+00
DAV: 9 -0.596735982872E+02 -0.79776E-02 -0.22801E-02 928 0.137E+00 0.351E-01
DAV: 10 -0.596751221183E+02 -0.15238E-02 -0.46027E-03 849 0.395E-01 0.196E-01
DAV: 11 -0.596767532955E+02 -0.16312E-02 -0.16471E-03 785 0.297E-01 0.718E-02
DAV: 12 -0.596781452196E+02 -0.13919E-02 -0.34139E-04 849 0.141E-01 0.268E-02
DAV: 13 -0.596794017494E+02 -0.12565E-02 -0.13715E-04 854 0.816E-02 0.240E-02
DAV: 14 -0.596801007358E+02 -0.69899E-03 -0.54731E-05 790 0.430E-02 0.100E-02
DAV: 15 -0.596806781705E+02 -0.57743E-03 -0.60390E-05 775 0.399E-02 0.717E-03
DAV: 16 -0.596808103604E+02 -0.13219E-03 -0.12567E-05 603 0.213E-02 0.417E-03
DAV: 17 -0.596809370979E+02 -0.12674E-03 -0.94017E-06 568 0.141E-02 0.325E-03
DAV: 18 -0.596809976783E+02 -0.60580E-04 -0.31752E-06 598 0.732E-03 0.129E-03
DAV: 19 -0.596810480236E+02 -0.50345E-04 -0.35955E-06 563 0.775E-03 0.125E-03
DAV: 20 -0.596810526912E+02 -0.46676E-05 -0.59010E-07 480 0.320E-03
1 F= -.59681053E+02 E0= -.59684918E+02 d E =0.115964E-01