iterations/neb0_image07_iter32_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 0.144965654090E+04 0.14497E+04 -0.44232E+04 330 0.697E+02
DAV: 2 0.235650906010E+03 -0.12140E+04 -0.11383E+04 408 0.163E+02
DAV: 3 -0.367133155784E+03 -0.60278E+03 -0.59935E+03 363 0.116E+02
DAV: 4 -0.433136084603E+03 -0.66003E+02 -0.65755E+02 318 0.477E+01
DAV: 5 -0.434548966600E+03 -0.14129E+01 -0.14105E+01 318 0.734E+00 0.426E+01
DAV: 6 -0.388794817450E+03 0.45754E+02 -0.14924E+02 309 0.287E+01 0.208E+01
DAV: 7 -0.385375399655E+03 0.34194E+01 -0.12957E+01 345 0.773E+00 0.104E+01
DAV: 8 -0.383899485221E+03 0.14759E+01 -0.18168E+00 336 0.378E+00 0.432E+00
DAV: 9 -0.383381219131E+03 0.51827E+00 -0.16797E+00 336 0.224E+00 0.116E+00
DAV: 10 -0.383304011227E+03 0.77208E-01 -0.17427E-01 336 0.103E+00 0.932E-01
DAV: 11 -0.383271741349E+03 0.32270E-01 -0.92088E-02 327 0.614E-01 0.833E-01
DAV: 12 -0.383265612414E+03 0.61289E-02 -0.28601E-01 390 0.686E-01 0.112E+00
DAV: 13 -0.383232008982E+03 0.33603E-01 -0.88073E-02 354 0.567E-01 0.400E-01
DAV: 14 -0.383226554669E+03 0.54543E-02 -0.61236E-02 309 0.418E-01 0.556E-01
DAV: 15 -0.383224367567E+03 0.21871E-02 -0.11810E-02 318 0.326E-01 0.574E-01
DAV: 16 -0.383224052205E+03 0.31536E-03 -0.39360E-02 372 0.258E-01 0.226E-01
DAV: 17 -0.383231142651E+03 -0.70904E-02 -0.10102E-02 300 0.194E-01 0.207E-01
DAV: 18 -0.383243169087E+03 -0.12026E-01 -0.62001E-03 291 0.209E-01 0.101E-01
DAV: 19 -0.383248663914E+03 -0.54948E-02 -0.18575E-03 336 0.121E-01 0.877E-02
DAV: 20 -0.383255380044E+03 -0.67161E-02 -0.83566E-04 345 0.835E-02 0.118E-01
DAV: 21 -0.383263929922E+03 -0.85499E-02 -0.91190E-04 309 0.679E-02 0.361E-02
DAV: 22 -0.383268058588E+03 -0.41287E-02 -0.33099E-04 327 0.431E-02 0.294E-02
DAV: 23 -0.383269738702E+03 -0.16801E-02 -0.13831E-04 318 0.219E-02 0.312E-02
DAV: 24 -0.383272028520E+03 -0.22898E-02 -0.17265E-04 282 0.227E-02 0.178E-02
DAV: 25 -0.383274098370E+03 -0.20698E-02 -0.13389E-04 300 0.198E-02 0.149E-02
DAV: 26 -0.383274607152E+03 -0.50878E-03 -0.24439E-05 255 0.894E-03 0.611E-03
DAV: 27 -0.383274925984E+03 -0.31883E-03 -0.10926E-05 201 0.688E-03 0.648E-03
DAV: 28 -0.383275135313E+03 -0.20933E-03 -0.73494E-06 219 0.528E-03 0.293E-03
DAV: 29 -0.383275238948E+03 -0.10363E-03 -0.38761E-06 219 0.437E-03 0.177E-03
DAV: 30 -0.383275292671E+03 -0.53723E-04 -0.20149E-06 201 0.290E-03 0.152E-03
DAV: 31 -0.383275318265E+03 -0.25593E-04 -0.10539E-06 210 0.189E-03 0.117E-03
DAV: 32 -0.383275343686E+03 -0.25422E-04 -0.10602E-06 201 0.203E-03 0.737E-04
DAV: 33 -0.383275348235E+03 -0.45485E-05 -0.38394E-07 228 0.139E-03
1 F= -.38327535E+03 E0= -.38329245E+03 d E =0.513177E-01