iterations/neb0_image03_iter42_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 0.144990868090E+04 0.14499E+04 -0.44207E+04 330 0.697E+02
DAV: 2 0.224271551760E+03 -0.12256E+04 -0.11487E+04 435 0.163E+02
DAV: 3 -0.363030819900E+03 -0.58730E+03 -0.58394E+03 354 0.114E+02
DAV: 4 -0.433082644646E+03 -0.70052E+02 -0.69796E+02 309 0.504E+01
DAV: 5 -0.434670755068E+03 -0.15881E+01 -0.15858E+01 345 0.771E+00 0.428E+01
DAV: 6 -0.388324077205E+03 0.46347E+02 -0.15095E+02 309 0.287E+01 0.209E+01
DAV: 7 -0.384826747457E+03 0.34973E+01 -0.12548E+01 336 0.774E+00 0.104E+01
DAV: 8 -0.383349798502E+03 0.14769E+01 -0.18612E+00 336 0.371E+00 0.427E+00
DAV: 9 -0.382823392129E+03 0.52641E+00 -0.19681E+00 363 0.236E+00 0.121E+00
DAV: 10 -0.382753442706E+03 0.69949E-01 -0.13256E-01 318 0.980E-01 0.874E-01
DAV: 11 -0.382711502035E+03 0.41941E-01 -0.95212E-02 318 0.744E-01 0.730E-01
DAV: 12 -0.382699776467E+03 0.11726E-01 -0.19900E-01 354 0.479E-01 0.882E-01
DAV: 13 -0.382679283167E+03 0.20493E-01 -0.19953E-02 318 0.340E-01 0.497E-01
DAV: 14 -0.382676979352E+03 0.23038E-02 -0.81909E-02 372 0.424E-01 0.561E-01
DAV: 15 -0.382674469244E+03 0.25101E-02 -0.86391E-02 318 0.356E-01 0.442E-01
DAV: 16 -0.382676737481E+03 -0.22682E-02 -0.59896E-03 309 0.227E-01 0.196E-01
DAV: 17 -0.382683157903E+03 -0.64204E-02 -0.21963E-03 300 0.159E-01 0.193E-01
DAV: 18 -0.382698348426E+03 -0.15191E-01 -0.81510E-03 309 0.193E-01 0.180E-01
DAV: 19 -0.382704580963E+03 -0.62325E-02 -0.28986E-03 327 0.113E-01 0.765E-02
DAV: 20 -0.382710102898E+03 -0.55219E-02 -0.45505E-04 318 0.587E-02 0.847E-02
DAV: 21 -0.382714668707E+03 -0.45658E-02 -0.38184E-04 363 0.389E-02 0.370E-02
DAV: 22 -0.382719550272E+03 -0.48816E-02 -0.24569E-04 318 0.373E-02 0.293E-02
DAV: 23 -0.382721825952E+03 -0.22757E-02 -0.12592E-04 309 0.226E-02 0.270E-02
DAV: 24 -0.382723429856E+03 -0.16039E-02 -0.71155E-05 282 0.161E-02 0.162E-02
DAV: 25 -0.382723965306E+03 -0.53545E-03 -0.20909E-05 255 0.116E-02 0.104E-02
DAV: 26 -0.382724468581E+03 -0.50327E-03 -0.16711E-05 219 0.802E-03 0.819E-03
DAV: 27 -0.382724732689E+03 -0.26411E-03 -0.12412E-05 228 0.604E-03 0.468E-03
DAV: 28 -0.382724858611E+03 -0.12592E-03 -0.38348E-06 228 0.417E-03 0.227E-03
DAV: 29 -0.382724919066E+03 -0.60455E-04 -0.25304E-06 219 0.327E-03 0.281E-03
DAV: 30 -0.382724948491E+03 -0.29426E-04 -0.10236E-06 228 0.212E-03 0.114E-03
DAV: 31 -0.382724966232E+03 -0.17740E-04 -0.79407E-07 219 0.157E-03 0.748E-04
DAV: 32 -0.382724974239E+03 -0.80074E-05 -0.31371E-07 228 0.105E-03
1 F= -.38272497E+03 E0= -.38273731E+03 d E =0.370136E-01