iterations/neb0_image02_iter66_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 0.144772388234E+04 0.14477E+04 -0.44193E+04 330 0.697E+02
DAV: 2 0.223921719735E+03 -0.12238E+04 -0.11468E+04 435 0.163E+02
DAV: 3 -0.363074344230E+03 -0.58700E+03 -0.58384E+03 345 0.114E+02
DAV: 4 -0.433468497294E+03 -0.70394E+02 -0.70151E+02 318 0.508E+01
DAV: 5 -0.435041710747E+03 -0.15732E+01 -0.15707E+01 318 0.780E+00 0.426E+01
DAV: 6 -0.389071797482E+03 0.45970E+02 -0.14815E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385601172437E+03 0.34706E+01 -0.13626E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384116910956E+03 0.14843E+01 -0.20629E+00 336 0.384E+00 0.430E+00
DAV: 9 -0.383572129175E+03 0.54478E+00 -0.14017E+00 327 0.234E+00 0.133E+00
DAV: 10 -0.383518359785E+03 0.53769E-01 -0.44982E-01 336 0.114E+00 0.101E+00
DAV: 11 -0.383478775654E+03 0.39584E-01 -0.10900E-01 345 0.638E-01 0.728E-01
DAV: 12 -0.383468076497E+03 0.10699E-01 -0.10905E-01 336 0.664E-01 0.874E-01
DAV: 13 -0.383448896803E+03 0.19180E-01 -0.10876E-01 363 0.475E-01 0.584E-01
DAV: 14 -0.383437207090E+03 0.11690E-01 -0.30898E-02 327 0.380E-01 0.241E-01
DAV: 15 -0.383435665446E+03 0.15416E-02 -0.16882E-02 318 0.383E-01 0.315E-01
DAV: 16 -0.383441212680E+03 -0.55472E-02 -0.12646E-02 336 0.269E-01 0.366E-01
DAV: 17 -0.383445527152E+03 -0.43145E-02 -0.20947E-03 300 0.171E-01 0.123E-01
DAV: 18 -0.383458637626E+03 -0.13110E-01 -0.45084E-03 309 0.183E-01 0.166E-01
DAV: 19 -0.383466925360E+03 -0.82877E-02 -0.15390E-03 327 0.127E-01 0.526E-02
DAV: 20 -0.383474995870E+03 -0.80705E-02 -0.86775E-04 309 0.832E-02 0.842E-02
DAV: 21 -0.383479202543E+03 -0.42067E-02 -0.27325E-04 327 0.397E-02 0.336E-02
DAV: 22 -0.383482883203E+03 -0.36807E-02 -0.23782E-04 309 0.368E-02 0.230E-02
DAV: 23 -0.383485603723E+03 -0.27205E-02 -0.11333E-04 300 0.216E-02 0.148E-02
DAV: 24 -0.383487424139E+03 -0.18204E-02 -0.87770E-05 291 0.194E-02 0.122E-02
DAV: 25 -0.383488262046E+03 -0.83791E-03 -0.33705E-05 273 0.118E-02 0.711E-03
DAV: 26 -0.383488705699E+03 -0.44365E-03 -0.17392E-05 237 0.987E-03 0.486E-03
DAV: 27 -0.383488882107E+03 -0.17641E-03 -0.58715E-06 237 0.606E-03 0.474E-03
DAV: 28 -0.383488998377E+03 -0.11627E-03 -0.44424E-06 201 0.527E-03 0.224E-03
DAV: 29 -0.383489045720E+03 -0.47343E-04 -0.27177E-06 228 0.429E-03 0.278E-03
DAV: 30 -0.383489086789E+03 -0.41069E-04 -0.13082E-06 210 0.294E-03 0.155E-03
DAV: 31 -0.383489104741E+03 -0.17952E-04 -0.12874E-06 228 0.301E-03 0.988E-04
DAV: 32 -0.383489118769E+03 -0.14028E-04 -0.49942E-07 210 0.171E-03 0.108E-03
DAV: 33 -0.383489126807E+03 -0.80387E-05 -0.32502E-07 219 0.118E-03
1 F= -.38348913E+03 E0= -.38350168E+03 d E =0.376526E-01