iterations/neb0_image03_iter25_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 0.161850002156E+04 0.16185E+04 -0.42276E+04 306 0.697E+02
DAV: 2 0.297629686533E+03 -0.13209E+04 -0.12436E+04 420 0.168E+02
DAV: 3 -0.362737891632E+03 -0.66037E+03 -0.65724E+03 372 0.123E+02
DAV: 4 -0.433651219832E+03 -0.70913E+02 -0.70656E+02 316 0.506E+01
DAV: 5 -0.435160089692E+03 -0.15089E+01 -0.15067E+01 324 0.768E+00 0.427E+01
DAV: 6 -0.389103157627E+03 0.46057E+02 -0.15074E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385597997901E+03 0.35052E+01 -0.12397E+01 340 0.768E+00 0.104E+01
DAV: 8 -0.384158868441E+03 0.14391E+01 -0.26974E+00 340 0.388E+00 0.433E+00
DAV: 9 -0.383598948299E+03 0.55992E+00 -0.81628E-01 324 0.201E+00 0.117E+00
DAV: 10 -0.383539672318E+03 0.59276E-01 -0.40665E-01 340 0.106E+00 0.818E-01
DAV: 11 -0.383511388185E+03 0.28284E-01 -0.32065E-02 316 0.488E-01 0.723E-01
DAV: 12 -0.383509111314E+03 0.22769E-02 -0.35337E-01 404 0.746E-01 0.103E+00
DAV: 13 -0.383487704525E+03 0.21407E-01 -0.21919E-01 316 0.493E-01 0.939E-01
DAV: 14 -0.383478026977E+03 0.96775E-02 -0.36831E-02 364 0.268E-01 0.424E-01
DAV: 15 -0.383481246599E+03 -0.32196E-02 -0.15248E-02 308 0.276E-01 0.253E-01
DAV: 16 -0.383487783840E+03 -0.65372E-02 -0.68128E-03 324 0.198E-01 0.260E-01
DAV: 17 -0.383498197802E+03 -0.10414E-01 -0.13462E-02 300 0.177E-01 0.150E-01
DAV: 18 -0.383509998214E+03 -0.11800E-01 -0.31012E-03 300 0.154E-01 0.117E-01
DAV: 19 -0.383519354940E+03 -0.93567E-02 -0.14174E-03 316 0.990E-02 0.938E-02
DAV: 20 -0.383525058544E+03 -0.57036E-02 -0.10861E-03 348 0.696E-02 0.403E-02
DAV: 21 -0.383531028425E+03 -0.59699E-02 -0.44133E-04 316 0.480E-02 0.293E-02
DAV: 22 -0.383534238754E+03 -0.32103E-02 -0.12879E-04 316 0.267E-02 0.342E-02
DAV: 23 -0.383536785532E+03 -0.25468E-02 -0.16871E-04 300 0.284E-02 0.142E-02
DAV: 24 -0.383538885353E+03 -0.20998E-02 -0.13281E-04 292 0.226E-02 0.135E-02
DAV: 25 -0.383539107170E+03 -0.22182E-03 -0.13289E-05 244 0.863E-03 0.937E-03
DAV: 26 -0.383539663744E+03 -0.55657E-03 -0.26872E-05 244 0.931E-03 0.683E-03
DAV: 27 -0.383539892194E+03 -0.22845E-03 -0.90417E-06 228 0.561E-03 0.332E-03
DAV: 28 -0.383539965059E+03 -0.72865E-04 -0.40587E-06 236 0.430E-03 0.326E-03
DAV: 29 -0.383540051689E+03 -0.86630E-04 -0.32184E-06 196 0.383E-03 0.194E-03
DAV: 30 -0.383540078277E+03 -0.26588E-04 -0.13026E-06 220 0.210E-03 0.185E-03
DAV: 31 -0.383540096794E+03 -0.18516E-04 -0.95909E-07 212 0.243E-03 0.996E-04
DAV: 32 -0.383540103771E+03 -0.69776E-05 -0.38033E-07 220 0.135E-03
1 F= -.38354010E+03 E0= -.38355327E+03 d E =0.395074E-01