iterations/neb0_image07_iter28_OSZICAR.out output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.150643821441E+04 0.15064E+04 -0.43557E+04 322 0.697E+02
DAV: 2 0.248247088207E+03 -0.12582E+04 -0.11839E+04 428 0.164E+02
DAV: 3 -0.359282265786E+03 -0.60753E+03 -0.60333E+03 356 0.117E+02
DAV: 4 -0.433035020303E+03 -0.73753E+02 -0.73440E+02 316 0.513E+01
DAV: 5 -0.434728346104E+03 -0.16933E+01 -0.16904E+01 332 0.787E+00 0.426E+01
DAV: 6 -0.388817473407E+03 0.45911E+02 -0.14974E+02 316 0.286E+01 0.208E+01
DAV: 7 -0.385330446462E+03 0.34870E+01 -0.12630E+01 332 0.772E+00 0.104E+01
DAV: 8 -0.383902604349E+03 0.14278E+01 -0.23026E+00 332 0.390E+00 0.428E+00
DAV: 9 -0.383344683160E+03 0.55792E+00 -0.61079E-01 332 0.191E+00 0.962E-01
DAV: 10 -0.383286312840E+03 0.58370E-01 -0.13703E-01 340 0.947E-01 0.733E-01
DAV: 11 -0.383266789707E+03 0.19523E-01 -0.25532E-02 364 0.502E-01 0.593E-01
DAV: 12 -0.383258552810E+03 0.82369E-02 -0.49835E-02 308 0.326E-01 0.478E-01
DAV: 13 -0.383249124201E+03 0.94286E-02 -0.71504E-02 308 0.401E-01 0.473E-01
DAV: 14 -0.383247640651E+03 0.14835E-02 -0.35933E-02 348 0.270E-01 0.272E-01
DAV: 15 -0.383249838105E+03 -0.21975E-02 -0.10409E-02 292 0.237E-01 0.196E-01
DAV: 16 -0.383262032395E+03 -0.12194E-01 -0.89628E-03 300 0.198E-01 0.117E-01
DAV: 17 -0.383274082351E+03 -0.12050E-01 -0.26412E-03 292 0.158E-01 0.742E-02
DAV: 18 -0.383283058399E+03 -0.89760E-02 -0.21025E-03 308 0.123E-01 0.659E-02
DAV: 19 -0.383288511494E+03 -0.54531E-02 -0.53575E-04 340 0.672E-02 0.586E-02
DAV: 20 -0.383292104302E+03 -0.35928E-02 -0.30432E-04 356 0.495E-02 0.499E-02
DAV: 21 -0.383292330096E+03 -0.22579E-03 -0.98615E-05 308 0.212E-02 0.502E-02
DAV: 22 -0.383292321641E+03 0.84546E-05 -0.18509E-06 236 0.337E-03
1 F= -.38329232E+03 E0= -.38330855E+03 d E =0.486856E-01