iterations/neb0_image03_iter23_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 0.161853189444E+04 0.16185E+04 -0.42276E+04 306 0.697E+02
DAV: 2 0.297658818956E+03 -0.13209E+04 -0.12437E+04 420 0.168E+02
DAV: 3 -0.362731194460E+03 -0.66039E+03 -0.65726E+03 372 0.123E+02
DAV: 4 -0.433656767162E+03 -0.70926E+02 -0.70668E+02 316 0.506E+01
DAV: 5 -0.435165870075E+03 -0.15091E+01 -0.15070E+01 324 0.768E+00 0.427E+01
DAV: 6 -0.389104561580E+03 0.46061E+02 -0.15073E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385599248944E+03 0.35053E+01 -0.12416E+01 340 0.768E+00 0.104E+01
DAV: 8 -0.384163477257E+03 0.14358E+01 -0.28068E+00 340 0.390E+00 0.436E+00
DAV: 9 -0.383609164073E+03 0.55431E+00 -0.98671E-01 324 0.206E+00 0.111E+00
DAV: 10 -0.383529455529E+03 0.79709E-01 -0.17050E-01 332 0.100E+00 0.803E-01
DAV: 11 -0.383508197128E+03 0.21258E-01 -0.52513E-02 316 0.475E-01 0.641E-01
DAV: 12 -0.383496193423E+03 0.12004E-01 -0.24248E-01 340 0.560E-01 0.470E-01
DAV: 13 -0.383488291286E+03 0.79021E-02 -0.15915E-02 324 0.338E-01 0.408E-01
DAV: 14 -0.383489522288E+03 -0.12310E-02 -0.54966E-02 308 0.413E-01 0.505E-01
DAV: 15 -0.383489365815E+03 0.15647E-03 -0.34460E-02 340 0.306E-01 0.271E-01
DAV: 16 -0.383492390024E+03 -0.30242E-02 -0.33906E-03 332 0.153E-01 0.229E-01
DAV: 17 -0.383499700928E+03 -0.73109E-02 -0.77730E-03 324 0.169E-01 0.214E-01
DAV: 18 -0.383505585364E+03 -0.58844E-02 -0.16908E-03 324 0.119E-01 0.866E-02
DAV: 19 -0.383517537522E+03 -0.11952E-01 -0.21053E-03 284 0.143E-01 0.195E-01
DAV: 20 -0.383521555269E+03 -0.40177E-02 -0.10235E-03 316 0.831E-02 0.844E-02
DAV: 21 -0.383527020205E+03 -0.54649E-02 -0.42018E-04 316 0.483E-02 0.407E-02
DAV: 22 -0.383532780616E+03 -0.57604E-02 -0.45219E-04 316 0.402E-02 0.381E-02
DAV: 23 -0.383535280065E+03 -0.24994E-02 -0.14707E-04 324 0.345E-02 0.290E-02
DAV: 24 -0.383537972400E+03 -0.26923E-02 -0.16600E-04 316 0.285E-02 0.349E-02
DAV: 25 -0.383539131272E+03 -0.11589E-02 -0.74169E-05 292 0.231E-02 0.745E-03
DAV: 26 -0.383539726493E+03 -0.59522E-03 -0.52266E-05 308 0.159E-02 0.184E-02
DAV: 27 -0.383539801277E+03 -0.74784E-04 -0.42015E-06 236 0.762E-03 0.544E-03
DAV: 28 -0.383540125870E+03 -0.32459E-03 -0.19855E-05 220 0.986E-03 0.298E-03
DAV: 29 -0.383540187456E+03 -0.61586E-04 -0.22929E-06 228 0.385E-03 0.236E-03
DAV: 30 -0.383540246567E+03 -0.59112E-04 -0.23090E-06 196 0.407E-03 0.117E-03
DAV: 31 -0.383540288822E+03 -0.42255E-04 -0.13631E-06 220 0.241E-03 0.109E-03
DAV: 32 -0.383540310771E+03 -0.21949E-04 -0.72162E-07 212 0.150E-03 0.947E-04
DAV: 33 -0.383540319180E+03 -0.84090E-05 -0.40230E-07 220 0.161E-03
1 F= -.38354032E+03 E0= -.38355365E+03 d E =0.399846E-01