iterations/neb0_image08_iter50_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 0.144466999722E+04 0.14447E+04 -0.44210E+04 330 0.697E+02
DAV: 2 0.227272436903E+03 -0.12174E+04 -0.11435E+04 426 0.163E+02
DAV: 3 -0.365497772362E+03 -0.59277E+03 -0.58948E+03 363 0.114E+02
DAV: 4 -0.430403386111E+03 -0.64906E+02 -0.64673E+02 300 0.472E+01
DAV: 5 -0.431846538582E+03 -0.14432E+01 -0.14411E+01 345 0.734E+00 0.425E+01
DAV: 6 -0.386349189511E+03 0.45497E+02 -0.15146E+02 318 0.288E+01 0.208E+01
DAV: 7 -0.382996796438E+03 0.33524E+01 -0.12132E+01 336 0.771E+00 0.104E+01
DAV: 8 -0.381573043476E+03 0.14238E+01 -0.25810E+00 327 0.383E+00 0.429E+00
DAV: 9 -0.381004127944E+03 0.56892E+00 -0.60540E-01 327 0.197E+00 0.897E-01
DAV: 10 -0.380949544514E+03 0.54583E-01 -0.10995E-01 336 0.904E-01 0.678E-01
DAV: 11 -0.380919574824E+03 0.29970E-01 -0.15290E-02 318 0.389E-01 0.365E-01
DAV: 12 -0.380895201686E+03 0.24373E-01 -0.18293E-02 309 0.414E-01 0.199E-01
DAV: 13 -0.380895640988E+03 -0.43930E-03 -0.15338E-02 327 0.420E-01 0.145E-01
DAV: 14 -0.380907583262E+03 -0.11942E-01 -0.71279E-03 291 0.284E-01 0.113E-01
DAV: 15 -0.380918569772E+03 -0.10987E-01 -0.35741E-03 327 0.182E-01 0.545E-02
DAV: 16 -0.380926853642E+03 -0.82839E-02 -0.14125E-03 327 0.116E-01 0.524E-02
DAV: 17 -0.380933286818E+03 -0.64332E-02 -0.59899E-04 336 0.685E-02 0.387E-02
DAV: 18 -0.380941077922E+03 -0.77911E-02 -0.40992E-04 300 0.418E-02 0.195E-02
DAV: 19 -0.380946008114E+03 -0.49302E-02 -0.28142E-04 309 0.322E-02 0.168E-02
DAV: 20 -0.380947677323E+03 -0.16692E-02 -0.94644E-05 336 0.233E-02 0.101E-02
DAV: 21 -0.380949105005E+03 -0.14277E-02 -0.53545E-05 255 0.158E-02 0.556E-03
DAV: 22 -0.380949750652E+03 -0.64565E-03 -0.26342E-05 255 0.113E-02 0.492E-03
DAV: 23 -0.380950103719E+03 -0.35307E-03 -0.91489E-06 219 0.675E-03 0.279E-03
DAV: 24 -0.380950318089E+03 -0.21437E-03 -0.10386E-05 228 0.659E-03 0.275E-03
DAV: 25 -0.380950414610E+03 -0.96521E-04 -0.26249E-06 219 0.444E-03 0.174E-03
DAV: 26 -0.380950458303E+03 -0.43693E-04 -0.23643E-06 219 0.373E-03 0.942E-04
DAV: 27 -0.380950478796E+03 -0.20493E-04 -0.84675E-07 228 0.245E-03 0.539E-04
DAV: 28 -0.380950495415E+03 -0.16619E-04 -0.72015E-07 201 0.166E-03 0.657E-04
DAV: 29 -0.380950500259E+03 -0.48442E-05 -0.24891E-07 228 0.113E-03
1 F= -.38095050E+03 E0= -.38095446E+03 d E =0.118657E-01