iterations/neb0_image01_iter71_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 0.143990282276E+04 0.14399E+04 -0.44148E+04 330 0.697E+02
DAV: 2 0.227844627518E+03 -0.12121E+04 -0.11350E+04 426 0.162E+02
DAV: 3 -0.362687423430E+03 -0.59053E+03 -0.58683E+03 354 0.114E+02
DAV: 4 -0.431983705004E+03 -0.69296E+02 -0.69014E+02 318 0.496E+01
DAV: 5 -0.433523985878E+03 -0.15403E+01 -0.15376E+01 318 0.766E+00 0.423E+01
DAV: 6 -0.387981787776E+03 0.45542E+02 -0.14828E+02 309 0.288E+01 0.207E+01
DAV: 7 -0.384622856016E+03 0.33589E+01 -0.12803E+01 336 0.782E+00 0.104E+01
DAV: 8 -0.383164745144E+03 0.14581E+01 -0.19940E+00 336 0.380E+00 0.438E+00
DAV: 9 -0.382561834801E+03 0.60291E+00 -0.65464E-01 327 0.205E+00 0.912E-01
DAV: 10 -0.382512424806E+03 0.49410E-01 -0.98397E-02 336 0.813E-01 0.710E-01
DAV: 11 -0.382483570718E+03 0.28854E-01 -0.41429E-02 327 0.415E-01 0.645E-01
DAV: 12 -0.382471532453E+03 0.12038E-01 -0.20716E-01 345 0.465E-01 0.743E-01
DAV: 13 -0.382453454331E+03 0.18078E-01 -0.50082E-02 318 0.408E-01 0.208E-01
DAV: 14 -0.382457982591E+03 -0.45283E-02 -0.13271E-02 336 0.373E-01 0.212E-01
DAV: 15 -0.382468415807E+03 -0.10433E-01 -0.48891E-03 282 0.236E-01 0.143E-01
DAV: 16 -0.382478969869E+03 -0.10554E-01 -0.30702E-03 327 0.175E-01 0.115E-01
DAV: 17 -0.382485319246E+03 -0.63494E-02 -0.13529E-03 327 0.103E-01 0.697E-02
DAV: 18 -0.382490455360E+03 -0.51361E-02 -0.37034E-04 318 0.580E-02 0.429E-02
DAV: 19 -0.382501124018E+03 -0.10669E-01 -0.78733E-04 300 0.658E-02 0.275E-02
DAV: 20 -0.382505101957E+03 -0.39779E-02 -0.16302E-04 327 0.322E-02 0.199E-02
DAV: 21 -0.382508268520E+03 -0.31666E-02 -0.22766E-04 309 0.367E-02 0.134E-02
DAV: 22 -0.382509787799E+03 -0.15193E-02 -0.44092E-05 300 0.172E-02 0.102E-02
DAV: 23 -0.382511193861E+03 -0.14061E-02 -0.88702E-05 300 0.199E-02 0.589E-03
DAV: 24 -0.382511698346E+03 -0.50448E-03 -0.17200E-05 246 0.107E-02 0.336E-03
DAV: 25 -0.382511937498E+03 -0.23915E-03 -0.13275E-05 237 0.891E-03 0.479E-03
DAV: 26 -0.382512060201E+03 -0.12270E-03 -0.35135E-06 219 0.552E-03 0.287E-03
DAV: 27 -0.382512135805E+03 -0.75604E-04 -0.69614E-06 210 0.767E-03 0.264E-03
DAV: 28 -0.382512167815E+03 -0.32010E-04 -0.16747E-06 228 0.379E-03 0.171E-03
DAV: 29 -0.382512194956E+03 -0.27140E-04 -0.19165E-06 210 0.327E-03 0.664E-04
DAV: 30 -0.382512199803E+03 -0.48475E-05 -0.36903E-07 228 0.164E-03
1 F= -.38251220E+03 E0= -.38252427E+03 d E =0.362190E-01