iterations/neb0_image04_iter15_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 0.144969480830E+04 0.14497E+04 -0.44202E+04 330 0.697E+02
DAV: 2 0.225412477618E+03 -0.12243E+04 -0.11496E+04 435 0.163E+02
DAV: 3 -0.362361373627E+03 -0.58777E+03 -0.58445E+03 345 0.114E+02
DAV: 4 -0.433316180413E+03 -0.70955E+02 -0.70694E+02 318 0.509E+01
DAV: 5 -0.434904067049E+03 -0.15879E+01 -0.15854E+01 318 0.785E+00 0.426E+01
DAV: 6 -0.389019523793E+03 0.45885E+02 -0.14763E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385568293145E+03 0.34512E+01 -0.13481E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384104908595E+03 0.14634E+01 -0.21477E+00 327 0.385E+00 0.434E+00
DAV: 9 -0.383564968125E+03 0.53994E+00 -0.15816E+00 327 0.241E+00 0.135E+00
DAV: 10 -0.383497395404E+03 0.67573E-01 -0.31350E-01 336 0.116E+00 0.108E+00
DAV: 11 -0.383474779905E+03 0.22615E-01 -0.30513E-01 354 0.674E-01 0.102E+00
DAV: 12 -0.383456969921E+03 0.17810E-01 -0.29730E-01 354 0.760E-01 0.939E-01
DAV: 13 -0.383433285535E+03 0.23684E-01 -0.12253E-01 354 0.557E-01 0.631E-01
DAV: 14 -0.383422528747E+03 0.10757E-01 -0.44590E-02 327 0.375E-01 0.424E-01
DAV: 15 -0.383419127547E+03 0.34012E-02 -0.24120E-02 318 0.432E-01 0.344E-01
DAV: 16 -0.383421070475E+03 -0.19429E-02 -0.87235E-03 336 0.272E-01 0.190E-01
DAV: 17 -0.383426836887E+03 -0.57664E-02 -0.34480E-03 291 0.189E-01 0.146E-01
DAV: 18 -0.383434340877E+03 -0.75040E-02 -0.32704E-03 354 0.189E-01 0.112E-01
DAV: 19 -0.383443461312E+03 -0.91204E-02 -0.40219E-03 336 0.153E-01 0.169E-01
DAV: 20 -0.383442617466E+03 0.84385E-03 -0.28887E-03 345 0.855E-02 0.753E-02
DAV: 21 -0.383449643439E+03 -0.70260E-02 -0.92939E-04 300 0.807E-02 0.767E-02
DAV: 22 -0.383455421559E+03 -0.57781E-02 -0.53238E-04 309 0.620E-02 0.566E-02
DAV: 23 -0.383462291728E+03 -0.68702E-02 -0.88681E-04 300 0.645E-02 0.354E-02
DAV: 24 -0.383464009771E+03 -0.17180E-02 -0.35778E-04 345 0.331E-02 0.422E-02
DAV: 25 -0.383465187697E+03 -0.11779E-02 -0.54920E-05 309 0.196E-02 0.372E-02
DAV: 26 -0.383467044879E+03 -0.18572E-02 -0.18614E-04 318 0.287E-02 0.143E-02
DAV: 27 -0.383467578414E+03 -0.53353E-03 -0.24450E-05 291 0.123E-02 0.106E-02
DAV: 28 -0.383468540728E+03 -0.96231E-03 -0.58905E-05 273 0.131E-02 0.824E-03
DAV: 29 -0.383468727498E+03 -0.18677E-03 -0.50938E-06 237 0.540E-03 0.760E-03
DAV: 30 -0.383468903476E+03 -0.17598E-03 -0.65076E-06 210 0.518E-03 0.548E-03
DAV: 31 -0.383469029338E+03 -0.12586E-03 -0.39706E-06 219 0.519E-03 0.316E-03
DAV: 32 -0.383469064958E+03 -0.35620E-04 -0.19599E-06 237 0.357E-03 0.202E-03
DAV: 33 -0.383469095836E+03 -0.30879E-04 -0.11415E-06 210 0.235E-03 0.150E-03
DAV: 34 -0.383469112059E+03 -0.16223E-04 -0.64213E-07 228 0.175E-03 0.130E-03
DAV: 35 -0.383469130331E+03 -0.18272E-04 -0.75450E-07 201 0.171E-03 0.922E-04
DAV: 36 -0.383469134818E+03 -0.44872E-05 -0.25088E-07 228 0.112E-03
1 F= -.38346913E+03 E0= -.38348587E+03 d E =0.501927E-01