./iterations/neb0_image03_iter19_OSZICAR.out output for 3: 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.144888914921E+04 0.14489E+04 -0.44196E+04 330 0.697E+02
DAV: 2 0.224781481510E+03 -0.12241E+04 -0.11483E+04 435 0.163E+02
DAV: 3 -0.362444068265E+03 -0.58723E+03 -0.58354E+03 345 0.114E+02
DAV: 4 -0.433389896049E+03 -0.70946E+02 -0.70712E+02 309 0.508E+01
DAV: 5 -0.434981158867E+03 -0.15913E+01 -0.15886E+01 318 0.784E+00 0.426E+01
DAV: 6 -0.389051932705E+03 0.45929E+02 -0.14795E+02 318 0.285E+01 0.208E+01
DAV: 7 -0.385604620994E+03 0.34473E+01 -0.13766E+01 345 0.781E+00 0.104E+01
DAV: 8 -0.384136452238E+03 0.14682E+01 -0.21912E+00 336 0.387E+00 0.434E+00
DAV: 9 -0.383595234487E+03 0.54122E+00 -0.16928E+00 336 0.244E+00 0.134E+00
DAV: 10 -0.383518747865E+03 0.76487E-01 -0.20230E-01 336 0.113E+00 0.947E-01
DAV: 11 -0.383495456056E+03 0.23292E-01 -0.19006E-01 345 0.654E-01 0.955E-01
DAV: 12 -0.383484048530E+03 0.11408E-01 -0.36962E-01 345 0.706E-01 0.918E-01
DAV: 13 -0.383463508608E+03 0.20540E-01 -0.14490E-01 363 0.539E-01 0.695E-01
DAV: 14 -0.383452855626E+03 0.10653E-01 -0.67448E-02 327 0.372E-01 0.545E-01
DAV: 15 -0.383447452955E+03 0.54027E-02 -0.25521E-02 318 0.463E-01 0.375E-01
DAV: 16 -0.383449900207E+03 -0.24473E-02 -0.17974E-02 318 0.272E-01 0.182E-01
DAV: 17 -0.383457075324E+03 -0.71751E-02 -0.30362E-03 291 0.152E-01 0.149E-01
DAV: 18 -0.383467425338E+03 -0.10350E-01 -0.24307E-03 309 0.147E-01 0.741E-02
DAV: 19 -0.383479588889E+03 -0.12164E-01 -0.22041E-03 309 0.150E-01 0.569E-02
DAV: 20 -0.383485844819E+03 -0.62559E-02 -0.98980E-04 336 0.916E-02 0.611E-02
DAV: 21 -0.383488382651E+03 -0.25378E-02 -0.14321E-04 318 0.312E-02 0.585E-02
DAV: 22 -0.383495297972E+03 -0.69153E-02 -0.66358E-04 300 0.598E-02 0.418E-02
DAV: 23 -0.383497003676E+03 -0.17057E-02 -0.10702E-04 309 0.245E-02 0.356E-02
DAV: 24 -0.383497358558E+03 -0.35488E-03 -0.24406E-05 264 0.148E-02 0.176E-02
DAV: 25 -0.383498713796E+03 -0.13552E-02 -0.66535E-05 300 0.180E-02 0.878E-03
DAV: 26 -0.383499534036E+03 -0.82024E-03 -0.29081E-05 264 0.108E-02 0.744E-03
DAV: 27 -0.383499852076E+03 -0.31804E-03 -0.90576E-06 237 0.680E-03 0.399E-03
DAV: 28 -0.383500145140E+03 -0.29306E-03 -0.13343E-05 228 0.673E-03 0.571E-03
DAV: 29 -0.383500187696E+03 -0.42556E-04 -0.19884E-06 237 0.353E-03 0.332E-03
DAV: 30 -0.383500259108E+03 -0.71411E-04 -0.23906E-06 192 0.343E-03 0.248E-03
DAV: 31 -0.383500278599E+03 -0.19492E-04 -0.82084E-07 228 0.216E-03 0.147E-03
DAV: 32 -0.383500290325E+03 -0.11726E-04 -0.60792E-07 228 0.221E-03 0.943E-04
DAV: 33 -0.383500307379E+03 -0.17054E-04 -0.55680E-07 201 0.156E-03 0.897E-04
DAV: 34 -0.383500312431E+03 -0.50512E-05 -0.21722E-07 228 0.944E-04
1 F= -.38350031E+03 E0= -.38351333E+03 d E =0.390669E-01