iterations/neb0_image06_iter3_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 0.162071149151E+04 0.16207E+04 -0.42282E+04 306 0.697E+02
DAV: 2 0.301436880280E+03 -0.13193E+04 -0.12410E+04 420 0.168E+02
DAV: 3 -0.352297567256E+03 -0.65373E+03 -0.64865E+03 356 0.123E+02
DAV: 4 -0.432937333879E+03 -0.80640E+02 -0.80302E+02 308 0.544E+01
DAV: 5 -0.434849952412E+03 -0.19126E+01 -0.19098E+01 348 0.843E+00 0.427E+01
DAV: 6 -0.388882955587E+03 0.45967E+02 -0.15024E+02 316 0.286E+01 0.209E+01
DAV: 7 -0.385403367530E+03 0.34796E+01 -0.12656E+01 340 0.771E+00 0.104E+01
DAV: 8 -0.383980391404E+03 0.14230E+01 -0.28070E+00 332 0.393E+00 0.432E+00
DAV: 9 -0.383408815038E+03 0.57158E+00 -0.61619E-01 332 0.196E+00 0.104E+00
DAV: 10 -0.383360912647E+03 0.47902E-01 -0.37395E-01 324 0.112E+00 0.117E+00
DAV: 11 -0.383338721204E+03 0.22191E-01 -0.18482E-01 316 0.531E-01 0.757E-01
DAV: 12 -0.383329902883E+03 0.88183E-02 -0.57823E-02 316 0.374E-01 0.589E-01
DAV: 13 -0.383316520437E+03 0.13382E-01 -0.13171E-01 324 0.502E-01 0.695E-01
DAV: 14 -0.383306730085E+03 0.97904E-02 -0.68670E-02 316 0.337E-01 0.256E-01
DAV: 15 -0.383307946966E+03 -0.12169E-02 -0.86099E-03 292 0.288E-01 0.196E-01
DAV: 16 -0.383316920337E+03 -0.89734E-02 -0.66095E-03 332 0.240E-01 0.150E-01
DAV: 17 -0.383327697207E+03 -0.10777E-01 -0.23594E-03 300 0.172E-01 0.109E-01
DAV: 18 -0.383336796912E+03 -0.90997E-02 -0.28378E-03 324 0.139E-01 0.915E-02
DAV: 19 -0.383341750280E+03 -0.49534E-02 -0.17381E-03 340 0.826E-02 0.834E-02
DAV: 20 -0.383347821969E+03 -0.60717E-02 -0.54293E-04 316 0.511E-02 0.482E-02
DAV: 21 -0.383353634926E+03 -0.58130E-02 -0.34564E-04 300 0.429E-02 0.316E-02
DAV: 22 -0.383357410046E+03 -0.37751E-02 -0.19510E-04 308 0.287E-02 0.162E-02
DAV: 23 -0.383361014250E+03 -0.36042E-02 -0.18024E-04 300 0.257E-02 0.154E-02
DAV: 24 -0.383362874935E+03 -0.18607E-02 -0.95530E-05 300 0.182E-02 0.115E-02
DAV: 25 -0.383363740882E+03 -0.86595E-03 -0.54914E-05 284 0.152E-02 0.651E-03
DAV: 26 -0.383364048789E+03 -0.30791E-03 -0.13135E-05 236 0.872E-03 0.636E-03
DAV: 27 -0.383364203643E+03 -0.15485E-03 -0.46227E-06 228 0.483E-03 0.431E-03
DAV: 28 -0.383364357041E+03 -0.15340E-03 -0.75431E-06 204 0.567E-03 0.201E-03
DAV: 29 -0.383364410537E+03 -0.53495E-04 -0.24928E-06 228 0.333E-03 0.226E-03
DAV: 30 -0.383364435842E+03 -0.25305E-04 -0.12793E-06 220 0.270E-03 0.120E-03
DAV: 31 -0.383364465288E+03 -0.29446E-04 -0.14844E-06 212 0.279E-03 0.163E-03
DAV: 32 -0.383364474727E+03 -0.94391E-05 -0.50059E-07 228 0.180E-03
1 F= -.38336447E+03 E0= -.38338174E+03 d E =0.517974E-01