iterations/neb0_image01_iter44_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 0.144724151528E+04 0.14472E+04 -0.44192E+04 330 0.697E+02
DAV: 2 0.227851788709E+03 -0.12194E+04 -0.11423E+04 426 0.163E+02
DAV: 3 -0.362851014722E+03 -0.59070E+03 -0.58730E+03 345 0.114E+02
DAV: 4 -0.433510981823E+03 -0.70660E+02 -0.70390E+02 318 0.512E+01
DAV: 5 -0.435096454191E+03 -0.15855E+01 -0.15831E+01 318 0.783E+00 0.426E+01
DAV: 6 -0.389096962139E+03 0.45999E+02 -0.14810E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385615649747E+03 0.34813E+01 -0.13225E+01 345 0.778E+00 0.104E+01
DAV: 8 -0.384145609447E+03 0.14700E+01 -0.21158E+00 327 0.381E+00 0.427E+00
DAV: 9 -0.383578480505E+03 0.56713E+00 -0.94596E-01 336 0.219E+00 0.115E+00
DAV: 10 -0.383533098198E+03 0.45382E-01 -0.41600E-01 327 0.108E+00 0.995E-01
DAV: 11 -0.383498012978E+03 0.35085E-01 -0.10130E-01 354 0.612E-01 0.619E-01
DAV: 12 -0.383473986334E+03 0.24027E-01 -0.24625E-02 327 0.447E-01 0.426E-01
DAV: 13 -0.383461965651E+03 0.12021E-01 -0.56841E-02 318 0.433E-01 0.633E-01
DAV: 14 -0.383460456903E+03 0.15087E-02 -0.84206E-02 345 0.411E-01 0.735E-01
DAV: 15 -0.383459423635E+03 0.10333E-02 -0.12343E-02 363 0.352E-01 0.495E-01
DAV: 16 -0.383459588333E+03 -0.16470E-03 -0.68859E-03 291 0.274E-01 0.249E-01
DAV: 17 -0.383463044001E+03 -0.34557E-02 -0.30789E-03 318 0.143E-01 0.169E-01
DAV: 18 -0.383472812665E+03 -0.97687E-02 -0.49470E-03 282 0.138E-01 0.240E-01
DAV: 19 -0.383481496778E+03 -0.86841E-02 -0.38320E-03 300 0.144E-01 0.811E-02
DAV: 20 -0.383488042963E+03 -0.65462E-02 -0.10517E-03 336 0.106E-01 0.630E-02
DAV: 21 -0.383494948723E+03 -0.69058E-02 -0.63298E-04 318 0.732E-02 0.591E-02
DAV: 22 -0.383501349763E+03 -0.64010E-02 -0.35261E-04 318 0.480E-02 0.295E-02
DAV: 23 -0.383504507058E+03 -0.31573E-02 -0.17384E-04 327 0.331E-02 0.185E-02
DAV: 24 -0.383506387428E+03 -0.18804E-02 -0.56885E-05 309 0.165E-02 0.153E-02
DAV: 25 -0.383508720818E+03 -0.23334E-02 -0.13670E-04 291 0.224E-02 0.128E-02
DAV: 26 -0.383509427926E+03 -0.70711E-03 -0.26764E-05 273 0.108E-02 0.665E-03
DAV: 27 -0.383509756124E+03 -0.32820E-03 -0.11127E-05 219 0.870E-03 0.405E-03
DAV: 28 -0.383510019274E+03 -0.26315E-03 -0.91799E-06 219 0.568E-03 0.355E-03
DAV: 29 -0.383510147687E+03 -0.12841E-03 -0.38507E-06 219 0.579E-03 0.252E-03
DAV: 30 -0.383510251077E+03 -0.10339E-03 -0.63774E-06 201 0.629E-03 0.285E-03
DAV: 31 -0.383510262038E+03 -0.10962E-04 -0.13264E-06 237 0.308E-03 0.230E-03
DAV: 32 -0.383510274861E+03 -0.12823E-04 -0.13803E-06 219 0.373E-03 0.996E-04
DAV: 33 -0.383510298964E+03 -0.24103E-04 -0.67290E-07 183 0.202E-03 0.628E-04
DAV: 34 -0.383510311990E+03 -0.13025E-04 -0.42443E-07 219 0.126E-03 0.859E-04
DAV: 35 -0.383510318559E+03 -0.65695E-05 -0.21679E-07 192 0.887E-04
1 F= -.38351032E+03 E0= -.38352696E+03 d E =0.499284E-01