iterations/neb0_image09_iter25_OSZICAR.out output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
terminated
N E dE d eps ncg rms rms(c)
DAV: 1 0.145126060994E+04 0.14513E+04 -0.44258E+04 330 0.697E+02
DAV: 2 0.230551407449E+03 -0.12207E+04 -0.11462E+04 426 0.163E+02
DAV: 3 -0.361900229130E+03 -0.59245E+03 -0.58805E+03 354 0.114E+02
DAV: 4 -0.432528912680E+03 -0.70629E+02 -0.70360E+02 309 0.496E+01
DAV: 5 -0.434124292735E+03 -0.15954E+01 -0.15924E+01 318 0.778E+00 0.427E+01
DAV: 6 -0.388408055436E+03 0.45716E+02 -0.14849E+02 309 0.287E+01 0.208E+01
DAV: 7 -0.384977719896E+03 0.34303E+01 -0.12724E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.383515075997E+03 0.14626E+01 -0.18854E+00 336 0.380E+00 0.432E+00
DAV: 9 -0.382989911120E+03 0.52516E+00 -0.16269E+00 336 0.233E+00 0.113E+00
DAV: 10 -0.382915575046E+03 0.74336E-01 -0.14098E-01 327 0.103E+00 0.871E-01
DAV: 11 -0.382872733354E+03 0.42842E-01 -0.94226E-02 336 0.732E-01 0.618E-01
DAV: 12 -0.382859785262E+03 0.12948E-01 -0.59060E-02 381 0.543E-01 0.854E-01
DAV: 13 -0.382843686216E+03 0.16099E-01 -0.12379E-01 363 0.437E-01 0.420E-01
DAV: 14 -0.382839222559E+03 0.44637E-02 -0.70511E-02 336 0.418E-01 0.538E-01
DAV: 15 -0.382834327790E+03 0.48948E-02 -0.14011E-02 309 0.310E-01 0.334E-01
DAV: 16 -0.382843348282E+03 -0.90205E-02 -0.17705E-02 300 0.394E-01 0.242E-01
DAV: 17 -0.382851088539E+03 -0.77403E-02 -0.54333E-03 327 0.222E-01 0.160E-01
DAV: 18 -0.382856007269E+03 -0.49187E-02 -0.17248E-03 291 0.127E-01 0.143E-01
DAV: 19 -0.382861330989E+03 -0.53237E-02 -0.65708E-04 318 0.778E-02 0.845E-02
DAV: 20 -0.382870442060E+03 -0.91111E-02 -0.10023E-03 300 0.908E-02 0.421E-02
DAV: 21 -0.382874699881E+03 -0.42578E-02 -0.43220E-04 345 0.593E-02 0.421E-02
DAV: 22 -0.382877713880E+03 -0.30140E-02 -0.13699E-04 318 0.325E-02 0.316E-02
DAV: 23 -0.382880991808E+03 -0.32779E-02 -0.14452E-04 300 0.266E-02 0.288E-02
DAV: 24 -0.382883798700E+03 -0.28069E-02 -0.15758E-04 309 0.254E-02 0.150E-02
DAV: 25 -0.382884634858E+03 -0.83616E-03 -0.35724E-05 291 0.122E-02 0.208E-02
DAV: 26 -0.382885368952E+03 -0.73409E-03 -0.31445E-05 255 0.122E-02 0.754E-03
DAV: 27 -0.382885802191E+03 -0.43324E-03 -0.30127E-05 282 0.120E-02 0.132E-02
DAV: 28 -0.382885922480E+03 -0.12029E-03 -0.54800E-06 237 0.622E-03 0.716E-03
DAV: 29 -0.382886109378E+03 -0.18690E-03 -0.10209E-05 210 0.676E-03 0.397E-03
DAV: 30 -0.382886172852E+03 -0.63473E-04 -0.24060E-06 228 0.385E-03 0.185E-03
DAV: 31 -0.382886218386E+03 -0.45534E-04 -0.15698E-06 192 0.297E-03 0.138E-03
DAV: 32 -0.382886246399E+03 -0.28013E-04 -0.85522E-07 219 0.202E-03 0.943E-04
DAV: 33 -0.382886266205E+03 -0.19807E-04 -0.67333E-07 201 0.161E-03 0.868E-04
DAV: 34 -0.382886274989E+03 -0.87837E-05 -0.34462E-07 219 0.111E-03
1 F= -.38288627E+03 E0= -.38290350E+03 d E =0.516788E-01