iterations/neb0_image09_iter7_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 0.145203276934E+04 0.14520E+04 -0.44262E+04 330 0.697E+02
DAV: 2 0.231580917956E+03 -0.12205E+04 -0.11448E+04 426 0.163E+02
DAV: 3 -0.359299409831E+03 -0.59088E+03 -0.58754E+03 354 0.114E+02
DAV: 4 -0.431709529104E+03 -0.72410E+02 -0.72104E+02 318 0.508E+01
DAV: 5 -0.433348144231E+03 -0.16386E+01 -0.16354E+01 318 0.789E+00 0.427E+01
DAV: 6 -0.387811891355E+03 0.45536E+02 -0.14647E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.384367606171E+03 0.34443E+01 -0.12905E+01 336 0.786E+00 0.104E+01
DAV: 8 -0.382938901412E+03 0.14287E+01 -0.22925E+00 336 0.392E+00 0.435E+00
DAV: 9 -0.382382632473E+03 0.55627E+00 -0.12014E+00 327 0.229E+00 0.127E+00
DAV: 10 -0.382332663323E+03 0.49969E-01 -0.50773E-01 345 0.124E+00 0.951E-01
DAV: 11 -0.382301295168E+03 0.31368E-01 -0.15180E-01 327 0.602E-01 0.105E+00
DAV: 12 -0.382284150117E+03 0.17145E-01 -0.47731E-02 363 0.362E-01 0.604E-01
DAV: 13 -0.382276315433E+03 0.78347E-02 -0.80600E-02 363 0.632E-01 0.951E-01
DAV: 14 -0.382250539050E+03 0.25776E-01 -0.30940E-02 327 0.462E-01 0.336E-01
DAV: 15 -0.382245632870E+03 0.49062E-02 -0.17920E-02 318 0.403E-01 0.208E-01
DAV: 16 -0.382249377548E+03 -0.37447E-02 -0.83421E-03 309 0.294E-01 0.166E-01
DAV: 17 -0.382257768464E+03 -0.83909E-02 -0.39035E-03 291 0.193E-01 0.118E-01
DAV: 18 -0.382266784511E+03 -0.90160E-02 -0.34653E-03 318 0.156E-01 0.136E-01
DAV: 19 -0.382275380011E+03 -0.85955E-02 -0.17745E-03 309 0.124E-01 0.534E-02
DAV: 20 -0.382281947280E+03 -0.65673E-02 -0.89214E-04 327 0.881E-02 0.384E-02
DAV: 21 -0.382287027987E+03 -0.50807E-02 -0.25250E-04 309 0.374E-02 0.452E-02
DAV: 22 -0.382291709886E+03 -0.46819E-02 -0.27565E-04 318 0.308E-02 0.188E-02
DAV: 23 -0.382295362912E+03 -0.36530E-02 -0.26026E-04 291 0.288E-02 0.175E-02
DAV: 24 -0.382296851073E+03 -0.14882E-02 -0.10676E-04 318 0.189E-02 0.180E-02
DAV: 25 -0.382297765021E+03 -0.91395E-03 -0.60391E-05 264 0.138E-02 0.503E-03
DAV: 26 -0.382297996475E+03 -0.23145E-03 -0.97210E-06 228 0.680E-03 0.544E-03
DAV: 27 -0.382298112262E+03 -0.11579E-03 -0.40728E-06 237 0.472E-03 0.374E-03
DAV: 28 -0.382298275839E+03 -0.16358E-03 -0.65015E-06 192 0.589E-03 0.183E-03
DAV: 29 -0.382298308558E+03 -0.32719E-04 -0.19394E-06 228 0.305E-03 0.162E-03
DAV: 30 -0.382298348166E+03 -0.39607E-04 -0.18988E-06 192 0.331E-03 0.147E-03
DAV: 31 -0.382298362896E+03 -0.14730E-04 -0.72772E-07 219 0.181E-03 0.987E-04
DAV: 32 -0.382298371923E+03 -0.90274E-05 -0.43083E-07 210 0.147E-03
1 F= -.38229837E+03 E0= -.38231488E+03 d E =0.495178E-01