iterations/neb0_image08_iter36_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 0.140512925432E+04 0.14051E+04 -0.43841E+04 330 0.697E+02
DAV: 2 0.229282699777E+03 -0.11758E+04 -0.11013E+04 417 0.161E+02
DAV: 3 -0.327113768088E+03 -0.55640E+03 -0.54839E+03 354 0.112E+02
DAV: 4 -0.399863443141E+03 -0.72750E+02 -0.71879E+02 327 0.491E+01
DAV: 5 -0.401661649424E+03 -0.17982E+01 -0.17914E+01 327 0.794E+00 0.409E+01
DAV: 6 -0.360168549903E+03 0.41493E+02 -0.15301E+02 318 0.289E+01 0.213E+01
DAV: 7 -0.358589357439E+03 0.15792E+01 -0.35682E+01 345 0.105E+01 0.136E+01
DAV: 8 -0.356143308260E+03 0.24460E+01 -0.14953E+01 363 0.782E+00 0.870E+00
DAV: 9 -0.354928799028E+03 0.12145E+01 -0.52543E+00 327 0.387E+00 0.293E+00
DAV: 10 -0.354672566891E+03 0.25623E+00 -0.98209E-01 327 0.193E+00 0.134E+00
DAV: 11 -0.354633048699E+03 0.39518E-01 -0.20993E-01 354 0.873E-01 0.128E+00
DAV: 12 -0.354600790601E+03 0.32258E-01 -0.17034E-01 336 0.504E-01 0.871E-01
DAV: 13 -0.354573795011E+03 0.26996E-01 -0.28169E-02 318 0.471E-01 0.686E-01
DAV: 14 -0.354559723082E+03 0.14072E-01 -0.38867E-02 327 0.376E-01 0.316E-01
DAV: 15 -0.354562224803E+03 -0.25017E-02 -0.13398E-02 318 0.282E-01 0.196E-01
DAV: 16 -0.354570803854E+03 -0.85791E-02 -0.53155E-03 318 0.257E-01 0.113E-01
DAV: 17 -0.354581951449E+03 -0.11148E-01 -0.47052E-03 309 0.209E-01 0.688E-02
DAV: 18 -0.354590336443E+03 -0.83850E-02 -0.27850E-03 318 0.141E-01 0.565E-02
DAV: 19 -0.354595117577E+03 -0.47811E-02 -0.51984E-04 354 0.647E-02 0.460E-02
DAV: 20 -0.354600373997E+03 -0.52564E-02 -0.24070E-04 309 0.342E-02 0.273E-02
DAV: 21 -0.354607715131E+03 -0.73411E-02 -0.47505E-04 318 0.374E-02 0.191E-02
DAV: 22 -0.354609416498E+03 -0.17014E-02 -0.63490E-05 336 0.182E-02 0.110E-02
DAV: 23 -0.354611787084E+03 -0.23706E-02 -0.11355E-04 282 0.187E-02 0.793E-03
DAV: 24 -0.354612827485E+03 -0.10404E-02 -0.41750E-05 291 0.118E-02 0.507E-03
DAV: 25 -0.354613539494E+03 -0.71201E-03 -0.33169E-05 273 0.105E-02 0.306E-03
DAV: 26 -0.354613746011E+03 -0.20652E-03 -0.44273E-06 228 0.497E-03 0.222E-03
DAV: 27 -0.354613917314E+03 -0.17130E-03 -0.74054E-06 219 0.532E-03 0.221E-03
DAV: 28 -0.354613965544E+03 -0.48230E-04 -0.12805E-06 228 0.333E-03 0.126E-03
DAV: 29 -0.354614015356E+03 -0.49812E-04 -0.26073E-06 219 0.388E-03 0.146E-03
DAV: 30 -0.354614031202E+03 -0.15845E-04 -0.70739E-07 219 0.225E-03 0.782E-04
DAV: 31 -0.354614042201E+03 -0.10999E-04 -0.65254E-07 219 0.181E-03 0.681E-04
DAV: 32 -0.354614051713E+03 -0.95116E-05 -0.28877E-07 210 0.118E-03
1 F= -.35461405E+03 E0= -.35462603E+03 d E =0.359225E-01