iterations/neb0_image05_iter40_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 0.137624047314E+04 0.13762E+04 -0.43622E+04 330 0.696E+02
DAV: 2 0.224583488544E+03 -0.11517E+04 -0.10864E+04 426 0.160E+02
DAV: 3 -0.304589431718E+03 -0.52917E+03 -0.51739E+03 345 0.110E+02
DAV: 4 -0.381756569030E+03 -0.77167E+02 -0.75723E+02 309 0.492E+01
DAV: 5 -0.384089173110E+03 -0.23326E+01 -0.23218E+01 336 0.858E+00 0.427E+01
DAV: 6 -0.366938810903E+03 0.17150E+02 -0.36437E+02 300 0.320E+01 0.392E+01
DAV: 7 -0.345230122986E+03 0.21709E+02 -0.20537E+02 360 0.156E+01 0.209E+01
DAV: 8 -0.342253052148E+03 0.29771E+01 -0.50494E+01 291 0.102E+01 0.188E+01
DAV: 9 -0.340499266970E+03 0.17538E+01 -0.15948E+01 336 0.690E+00 0.166E+01
DAV: 10 -0.336656018539E+03 0.38432E+01 -0.22598E+01 345 0.540E+00 0.160E+01
DAV: 11 -0.336338008087E+03 0.31801E+00 -0.12420E+01 318 0.315E+00 0.882E+00
DAV: 12 -0.335549684693E+03 0.78832E+00 -0.47937E-01 309 0.151E+00 0.499E+00
DAV: 13 -0.335270225434E+03 0.27946E+00 -0.14078E+00 327 0.125E+00 0.401E+00
DAV: 14 -0.335184856916E+03 0.85369E-01 -0.55792E-01 300 0.755E-01 0.261E+00
DAV: 15 -0.335194935097E+03 -0.10078E-01 -0.37126E-02 327 0.458E-01 0.284E+00
DAV: 16 -0.335165516932E+03 0.29418E-01 -0.46874E-02 336 0.327E-01 0.186E+00
DAV: 17 -0.335186145386E+03 -0.20628E-01 -0.72177E-02 345 0.682E-01 0.353E+00
DAV: 18 -0.335297585068E+03 -0.11144E+00 -0.66680E-01 345 0.812E-01 0.114E+01
DAV: 19 -0.334953427953E+03 0.34416E+00 -0.12922E+00 282 0.575E-01 0.169E+00
DAV: 20 -0.335096387663E+03 -0.14296E+00 -0.11949E-02 282 0.374E-01 0.221E+00
DAV: 21 -0.335110961942E+03 -0.14574E-01 -0.15260E-02 300 0.260E-01 0.294E+00
DAV: 22 -0.335105585922E+03 0.53760E-02 -0.49480E-03 327 0.181E-01 0.228E+00
DAV: 23 -0.335115354704E+03 -0.97688E-02 -0.47658E-03 318 0.168E-01 0.127E+00
DAV: 24 -0.335131845045E+03 -0.16490E-01 -0.55472E-03 327 0.169E-01 0.466E-01
DAV: 25 -0.335144848966E+03 -0.13004E-01 -0.16625E-03 309 0.136E-01 0.468E-01
DAV: 26 -0.335149375027E+03 -0.45261E-02 -0.82873E-04 309 0.755E-02 0.362E-01
DAV: 27 -0.335153577821E+03 -0.42028E-02 -0.48665E-04 318 0.564E-02 0.371E-01
DAV: 28 -0.335156173163E+03 -0.25953E-02 -0.22337E-04 318 0.387E-02 0.282E-01
DAV: 29 -0.335158150702E+03 -0.19775E-02 -0.14194E-04 309 0.242E-02 0.105E-01
DAV: 30 -0.335159569684E+03 -0.14190E-02 -0.45768E-05 300 0.160E-02 0.251E-02
DAV: 31 -0.335161184017E+03 -0.16143E-02 -0.64240E-05 282 0.158E-02 0.134E-02
DAV: 32 -0.335161786290E+03 -0.60227E-03 -0.20678E-05 246 0.889E-03 0.260E-02
DAV: 33 -0.335162363778E+03 -0.57749E-03 -0.29277E-05 255 0.889E-03 0.847E-03
DAV: 34 -0.335162540878E+03 -0.17710E-03 -0.45195E-06 228 0.502E-03 0.637E-03
DAV: 35 -0.335162666761E+03 -0.12588E-03 -0.56339E-06 228 0.379E-03 0.123E-02
DAV: 36 -0.335162741577E+03 -0.74816E-04 -0.19994E-06 219 0.287E-03 0.602E-03
DAV: 37 -0.335162780829E+03 -0.39252E-04 -0.14687E-06 228 0.216E-03 0.161E-03
DAV: 38 -0.335162804986E+03 -0.24157E-04 -0.93046E-07 219 0.164E-03 0.869E-04
DAV: 39 -0.335162819139E+03 -0.14153E-04 -0.80261E-07 210 0.149E-03 0.242E-03
DAV: 40 -0.335162822754E+03 -0.36152E-05 -0.32095E-07 210 0.917E-04
1 F= -.33516282E+03 E0= -.33513733E+03 d E =-.764898E-01