iterations/neb0_image03_iter9_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 0.161854952502E+04 0.16185E+04 -0.42276E+04 306 0.697E+02
DAV: 2 0.297617429535E+03 -0.13209E+04 -0.12436E+04 420 0.168E+02
DAV: 3 -0.357378989666E+03 -0.65500E+03 -0.65140E+03 364 0.123E+02
DAV: 4 -0.433423658790E+03 -0.76045E+02 -0.75726E+02 316 0.521E+01
DAV: 5 -0.435162200809E+03 -0.17385E+01 -0.17363E+01 332 0.800E+00 0.427E+01
DAV: 6 -0.389093220906E+03 0.46069E+02 -0.15145E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385595824540E+03 0.34974E+01 -0.12340E+01 340 0.767E+00 0.104E+01
DAV: 8 -0.384150434920E+03 0.14454E+01 -0.25078E+00 332 0.385E+00 0.431E+00
DAV: 9 -0.383600421268E+03 0.55001E+00 -0.95522E-01 324 0.204E+00 0.110E+00
DAV: 10 -0.383527189093E+03 0.73232E-01 -0.17038E-01 340 0.973E-01 0.813E-01
DAV: 11 -0.383505341493E+03 0.21848E-01 -0.53897E-02 316 0.479E-01 0.639E-01
DAV: 12 -0.383491975519E+03 0.13366E-01 -0.22763E-01 316 0.551E-01 0.440E-01
DAV: 13 -0.383485057978E+03 0.69175E-02 -0.16088E-02 324 0.340E-01 0.382E-01
DAV: 14 -0.383486094770E+03 -0.10368E-02 -0.44109E-02 332 0.383E-01 0.434E-01
DAV: 15 -0.383487640460E+03 -0.15457E-02 -0.27334E-02 340 0.291E-01 0.251E-01
DAV: 16 -0.383491489983E+03 -0.38495E-02 -0.33424E-03 340 0.156E-01 0.222E-01
DAV: 17 -0.383498055286E+03 -0.65653E-02 -0.68611E-03 348 0.170E-01 0.191E-01
DAV: 18 -0.383505506581E+03 -0.74513E-02 -0.22070E-03 316 0.126E-01 0.111E-01
DAV: 19 -0.383515986859E+03 -0.10480E-01 -0.16548E-03 292 0.121E-01 0.173E-01
DAV: 20 -0.383520596104E+03 -0.46092E-02 -0.70722E-04 316 0.697E-02 0.731E-02
DAV: 21 -0.383526308587E+03 -0.57125E-02 -0.49154E-04 308 0.456E-02 0.283E-02
DAV: 22 -0.383531091301E+03 -0.47827E-02 -0.28322E-04 316 0.336E-02 0.273E-02
DAV: 23 -0.383533607289E+03 -0.25160E-02 -0.14102E-04 316 0.286E-02 0.200E-02
DAV: 24 -0.383536158987E+03 -0.25517E-02 -0.15330E-04 300 0.273E-02 0.420E-02
DAV: 25 -0.383537065647E+03 -0.90666E-03 -0.55656E-05 292 0.228E-02 0.136E-02
DAV: 26 -0.383537471012E+03 -0.40536E-03 -0.32689E-05 284 0.124E-02 0.920E-03
DAV: 27 -0.383537643458E+03 -0.17245E-03 -0.45599E-06 236 0.645E-03 0.496E-03
DAV: 28 -0.383537901285E+03 -0.25783E-03 -0.14530E-05 212 0.719E-03 0.265E-03
DAV: 29 -0.383537942200E+03 -0.40915E-04 -0.17145E-06 236 0.310E-03 0.229E-03
DAV: 30 -0.383538018633E+03 -0.76433E-04 -0.30651E-06 188 0.391E-03 0.156E-03
DAV: 31 -0.383538032921E+03 -0.14288E-04 -0.71924E-07 220 0.191E-03 0.106E-03
DAV: 32 -0.383538051321E+03 -0.18400E-04 -0.76326E-07 204 0.211E-03 0.635E-04
DAV: 33 -0.383538060039E+03 -0.87175E-05 -0.37834E-07 220 0.123E-03
1 F= -.38353806E+03 E0= -.38355115E+03 d E =0.392760E-01