iterations/neb0_image08_iter16_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 0.151032506976E+04 0.15103E+04 -0.43568E+04 322 0.697E+02
DAV: 2 0.253369953222E+03 -0.12570E+04 -0.11793E+04 420 0.164E+02
DAV: 3 -0.357567176591E+03 -0.61094E+03 -0.60651E+03 356 0.117E+02
DAV: 4 -0.432986989848E+03 -0.75420E+02 -0.75075E+02 316 0.517E+01
DAV: 5 -0.434711694993E+03 -0.17247E+01 -0.17217E+01 332 0.797E+00 0.427E+01
DAV: 6 -0.388590840969E+03 0.46121E+02 -0.14969E+02 324 0.286E+01 0.209E+01
DAV: 7 -0.385054610733E+03 0.35362E+01 -0.12615E+01 340 0.776E+00 0.104E+01
DAV: 8 -0.383626644383E+03 0.14280E+01 -0.23271E+00 332 0.387E+00 0.426E+00
DAV: 9 -0.383088644713E+03 0.53800E+00 -0.79925E-01 332 0.198E+00 0.117E+00
DAV: 10 -0.383037507949E+03 0.51137E-01 -0.39316E-01 340 0.102E+00 0.797E-01
DAV: 11 -0.383010472746E+03 0.27035E-01 -0.33769E-02 316 0.489E-01 0.669E-01
DAV: 12 -0.383000707483E+03 0.97653E-02 -0.22215E-01 372 0.704E-01 0.985E-01
DAV: 13 -0.382983127983E+03 0.17580E-01 -0.23424E-01 308 0.495E-01 0.642E-01
DAV: 14 -0.382980162479E+03 0.29655E-02 -0.31666E-02 332 0.237E-01 0.283E-01
DAV: 15 -0.382984562200E+03 -0.43997E-02 -0.24910E-02 340 0.265E-01 0.391E-01
DAV: 16 -0.382990237374E+03 -0.56752E-02 -0.16564E-02 300 0.229E-01 0.153E-01
DAV: 17 -0.383001945172E+03 -0.11708E-01 -0.53999E-03 316 0.175E-01 0.123E-01
DAV: 18 -0.383012505326E+03 -0.10560E-01 -0.14168E-03 308 0.111E-01 0.869E-02
DAV: 19 -0.383020871671E+03 -0.83663E-02 -0.90565E-04 300 0.778E-02 0.115E-01
DAV: 20 -0.383029522354E+03 -0.86507E-02 -0.20497E-03 332 0.947E-02 0.567E-02
DAV: 21 -0.383032358553E+03 -0.28362E-02 -0.31626E-04 324 0.415E-02 0.476E-02
DAV: 22 -0.383033531397E+03 -0.11728E-02 -0.75074E-05 308 0.232E-02 0.384E-02
DAV: 23 -0.383037149411E+03 -0.36180E-02 -0.30152E-04 308 0.367E-02 0.401E-02
DAV: 24 -0.383037813495E+03 -0.66408E-03 -0.51898E-05 292 0.172E-02 0.141E-02
DAV: 25 -0.383038497692E+03 -0.68420E-03 -0.44473E-05 276 0.129E-02 0.632E-03
DAV: 26 -0.383038928224E+03 -0.43053E-03 -0.13767E-05 236 0.735E-03 0.569E-03
DAV: 27 -0.383039142961E+03 -0.21474E-03 -0.85193E-06 220 0.531E-03 0.632E-03
DAV: 28 -0.383039235706E+03 -0.92744E-04 -0.49861E-06 228 0.430E-03 0.170E-03
DAV: 29 -0.383039294151E+03 -0.58446E-04 -0.23027E-06 204 0.301E-03 0.211E-03
DAV: 30 -0.383039321121E+03 -0.26970E-04 -0.13009E-06 220 0.209E-03 0.779E-04
DAV: 31 -0.383039336279E+03 -0.15158E-04 -0.61339E-07 212 0.140E-03 0.631E-04
DAV: 32 -0.383039345353E+03 -0.90739E-05 -0.39043E-07 220 0.118E-03
1 F= -.38303935E+03 E0= -.38305239E+03 d E =0.391244E-01