iterations/neb0_image05_iter55_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 0.144637394062E+04 0.14464E+04 -0.44221E+04 330 0.697E+02
DAV: 2 0.231211206582E+03 -0.12152E+04 -0.11387E+04 417 0.163E+02
DAV: 3 -0.363590037737E+03 -0.59480E+03 -0.59159E+03 354 0.114E+02
DAV: 4 -0.432696952466E+03 -0.69107E+02 -0.68841E+02 309 0.497E+01
DAV: 5 -0.434267985154E+03 -0.15710E+01 -0.15681E+01 327 0.773E+00 0.426E+01
DAV: 6 -0.388360606647E+03 0.45907E+02 -0.14930E+02 309 0.287E+01 0.209E+01
DAV: 7 -0.384903617997E+03 0.34570E+01 -0.12495E+01 345 0.774E+00 0.104E+01
DAV: 8 -0.383437823634E+03 0.14658E+01 -0.20068E+00 327 0.376E+00 0.430E+00
DAV: 9 -0.382871452590E+03 0.56637E+00 -0.81025E-01 327 0.204E+00 0.114E+00
DAV: 10 -0.382811194834E+03 0.60258E-01 -0.29808E-01 336 0.936E-01 0.102E+00
DAV: 11 -0.382788544074E+03 0.22651E-01 -0.14945E-01 345 0.557E-01 0.702E-01
DAV: 12 -0.382764529484E+03 0.24015E-01 -0.46803E-02 327 0.399E-01 0.701E-01
DAV: 13 -0.382758232341E+03 0.62971E-02 -0.30809E-01 372 0.596E-01 0.100E+00
DAV: 14 -0.382736538484E+03 0.21694E-01 -0.23711E-02 309 0.462E-01 0.476E-01
DAV: 15 -0.382737157104E+03 -0.61862E-03 -0.14172E-02 327 0.266E-01 0.237E-01
DAV: 16 -0.382741693571E+03 -0.45365E-02 -0.28694E-03 309 0.147E-01 0.182E-01
DAV: 17 -0.382750943426E+03 -0.92499E-02 -0.58632E-03 291 0.171E-01 0.182E-01
DAV: 18 -0.382760140343E+03 -0.91969E-02 -0.22222E-03 336 0.141E-01 0.123E-01
DAV: 19 -0.382770114207E+03 -0.99739E-02 -0.19283E-03 300 0.155E-01 0.968E-02
DAV: 20 -0.382775870101E+03 -0.57559E-02 -0.97138E-04 318 0.770E-02 0.713E-02
DAV: 21 -0.382780563102E+03 -0.46930E-02 -0.28412E-04 345 0.437E-02 0.545E-02
DAV: 22 -0.382785629738E+03 -0.50666E-02 -0.31748E-04 300 0.367E-02 0.300E-02
DAV: 23 -0.382788859231E+03 -0.32295E-02 -0.16714E-04 318 0.257E-02 0.246E-02
DAV: 24 -0.382790155389E+03 -0.12962E-02 -0.50151E-05 300 0.147E-02 0.169E-02
DAV: 25 -0.382791375746E+03 -0.12204E-02 -0.64965E-05 273 0.138E-02 0.746E-03
DAV: 26 -0.382791765013E+03 -0.38927E-03 -0.11765E-05 237 0.767E-03 0.350E-03
DAV: 27 -0.382792030264E+03 -0.26525E-03 -0.88029E-06 210 0.588E-03 0.422E-03
DAV: 28 -0.382792139744E+03 -0.10948E-03 -0.36720E-06 228 0.355E-03 0.165E-03
DAV: 29 -0.382792209933E+03 -0.70188E-04 -0.21696E-06 210 0.305E-03 0.112E-03
DAV: 30 -0.382792243738E+03 -0.33805E-04 -0.14316E-06 210 0.218E-03 0.838E-04
DAV: 31 -0.382792258019E+03 -0.14281E-04 -0.67081E-07 228 0.194E-03 0.659E-04
DAV: 32 -0.382792272222E+03 -0.14203E-04 -0.63880E-07 210 0.146E-03 0.591E-04
DAV: 33 -0.382792274515E+03 -0.22932E-05 -0.17285E-07 228 0.842E-04
1 F= -.38279227E+03 E0= -.38280897E+03 d E =0.500736E-01