iterations/neb0_image07_iter24_OSZICAR.out output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
terminated
N E dE d eps ncg rms rms(c)
DAV: 1 0.145131824664E+04 0.14513E+04 -0.44237E+04 330 0.697E+02
DAV: 2 0.228111863106E+03 -0.12232E+04 -0.11470E+04 426 0.163E+02
DAV: 3 -0.361403332770E+03 -0.58952E+03 -0.58604E+03 345 0.114E+02
DAV: 4 -0.432953182297E+03 -0.71550E+02 -0.71284E+02 318 0.511E+01
DAV: 5 -0.434572215917E+03 -0.16190E+01 -0.16164E+01 318 0.791E+00 0.426E+01
DAV: 6 -0.388787730287E+03 0.45784E+02 -0.14742E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385332758432E+03 0.34550E+01 -0.13054E+01 345 0.778E+00 0.104E+01
DAV: 8 -0.383870812433E+03 0.14619E+01 -0.18589E+00 345 0.380E+00 0.434E+00
DAV: 9 -0.383359714711E+03 0.51110E+00 -0.18494E+00 336 0.236E+00 0.121E+00
DAV: 10 -0.383281165370E+03 0.78549E-01 -0.19051E-01 327 0.106E+00 0.959E-01
DAV: 11 -0.383257263319E+03 0.23902E-01 -0.13952E-01 318 0.623E-01 0.781E-01
DAV: 12 -0.383220456942E+03 0.36806E-01 -0.80095E-02 345 0.603E-01 0.469E-01
DAV: 13 -0.383204758659E+03 0.15698E-01 -0.17244E-02 309 0.429E-01 0.452E-01
DAV: 14 -0.383202936355E+03 0.18223E-02 -0.28489E-02 372 0.421E-01 0.438E-01
DAV: 15 -0.383202115262E+03 0.82109E-03 -0.20906E-02 318 0.362E-01 0.520E-01
DAV: 16 -0.383201154346E+03 0.96092E-03 -0.59177E-03 327 0.191E-01 0.416E-01
DAV: 17 -0.383207659598E+03 -0.65053E-02 -0.24700E-02 291 0.234E-01 0.215E-01
DAV: 18 -0.383214968308E+03 -0.73087E-02 -0.34417E-03 300 0.183E-01 0.161E-01
DAV: 19 -0.383220175331E+03 -0.52070E-02 -0.23414E-03 327 0.117E-01 0.826E-02
DAV: 20 -0.383229951062E+03 -0.97757E-02 -0.94846E-04 291 0.939E-02 0.477E-02
DAV: 21 -0.383237232022E+03 -0.72810E-02 -0.86483E-04 327 0.816E-02 0.458E-02
DAV: 22 -0.383242135018E+03 -0.49030E-02 -0.72752E-04 327 0.647E-02 0.799E-02
DAV: 23 -0.383243991804E+03 -0.18568E-02 -0.14401E-04 309 0.291E-02 0.490E-02
DAV: 24 -0.383247187884E+03 -0.31961E-02 -0.33197E-04 309 0.334E-02 0.236E-02
DAV: 25 -0.383248431041E+03 -0.12432E-02 -0.74741E-05 318 0.183E-02 0.262E-02
DAV: 26 -0.383248848349E+03 -0.41731E-03 -0.18270E-05 246 0.873E-03 0.114E-02
DAV: 27 -0.383249520514E+03 -0.67217E-03 -0.39518E-05 264 0.112E-02 0.538E-03
DAV: 28 -0.383249656570E+03 -0.13606E-03 -0.40686E-06 228 0.503E-03 0.370E-03
DAV: 29 -0.383249787485E+03 -0.13092E-03 -0.34910E-06 201 0.380E-03 0.329E-03
DAV: 30 -0.383249842141E+03 -0.54656E-04 -0.21048E-06 228 0.319E-03 0.324E-03
DAV: 31 -0.383249875933E+03 -0.33791E-04 -0.13053E-06 210 0.273E-03 0.377E-03
DAV: 32 -0.383249896701E+03 -0.20769E-04 -0.99166E-07 210 0.191E-03 0.165E-03
DAV: 33 -0.383249906227E+03 -0.95260E-05 -0.57385E-07 228 0.181E-03
1 F= -.38324991E+03 E0= -.38326682E+03 d E =0.507409E-01