iterations/neb0_image09_iter18_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 0.145362357376E+04 0.14536E+04 -0.44277E+04 330 0.697E+02
DAV: 2 0.231371303097E+03 -0.12223E+04 -0.11472E+04 426 0.163E+02
DAV: 3 -0.362365987013E+03 -0.59374E+03 -0.58967E+03 363 0.114E+02
DAV: 4 -0.432479815633E+03 -0.70114E+02 -0.69835E+02 309 0.491E+01
DAV: 5 -0.434045300713E+03 -0.15655E+01 -0.15623E+01 327 0.763E+00 0.428E+01
DAV: 6 -0.388117280510E+03 0.45928E+02 -0.14906E+02 309 0.287E+01 0.209E+01
DAV: 7 -0.384657622221E+03 0.34597E+01 -0.12935E+01 345 0.785E+00 0.104E+01
DAV: 8 -0.383188889996E+03 0.14687E+01 -0.18741E+00 345 0.388E+00 0.422E+00
DAV: 9 -0.382633542004E+03 0.55535E+00 -0.63712E-01 336 0.197E+00 0.104E+00
DAV: 10 -0.382591564083E+03 0.41978E-01 -0.33704E-01 345 0.967E-01 0.109E+00
DAV: 11 -0.382556300018E+03 0.35264E-01 -0.22554E-01 336 0.602E-01 0.726E-01
DAV: 12 -0.382526721339E+03 0.29579E-01 -0.36418E-02 336 0.485E-01 0.361E-01
DAV: 13 -0.382512825621E+03 0.13896E-01 -0.18807E-02 318 0.407E-01 0.236E-01
DAV: 14 -0.382512604403E+03 0.22122E-03 -0.99841E-03 327 0.341E-01 0.196E-01
DAV: 15 -0.382519903019E+03 -0.72986E-02 -0.64483E-03 300 0.295E-01 0.134E-01
DAV: 16 -0.382529418023E+03 -0.95150E-02 -0.26943E-03 309 0.176E-01 0.967E-02
DAV: 17 -0.382537499256E+03 -0.80812E-02 -0.19220E-03 309 0.125E-01 0.563E-02
DAV: 18 -0.382545987540E+03 -0.84883E-02 -0.89930E-04 318 0.899E-02 0.509E-02
DAV: 19 -0.382550821585E+03 -0.48340E-02 -0.39624E-04 354 0.642E-02 0.374E-02
DAV: 20 -0.382556353675E+03 -0.55321E-02 -0.28113E-04 300 0.412E-02 0.278E-02
DAV: 21 -0.382561452349E+03 -0.50987E-02 -0.29693E-04 300 0.327E-02 0.143E-02
DAV: 22 -0.382563123061E+03 -0.16707E-02 -0.67894E-05 309 0.181E-02 0.841E-03
DAV: 23 -0.382564963192E+03 -0.18401E-02 -0.90878E-05 273 0.163E-02 0.665E-03
DAV: 24 -0.382565592792E+03 -0.62960E-03 -0.22511E-05 255 0.917E-03 0.423E-03
DAV: 25 -0.382565947206E+03 -0.35441E-03 -0.13843E-05 210 0.797E-03 0.284E-03
DAV: 26 -0.382566095872E+03 -0.14867E-03 -0.44817E-06 228 0.468E-03 0.191E-03
DAV: 27 -0.382566205920E+03 -0.11005E-03 -0.46306E-06 192 0.474E-03 0.137E-03
DAV: 28 -0.382566239433E+03 -0.33514E-04 -0.17358E-06 219 0.297E-03 0.820E-04
DAV: 29 -0.382566261304E+03 -0.21871E-04 -0.13665E-06 201 0.262E-03 0.877E-04
DAV: 30 -0.382566269238E+03 -0.79341E-05 -0.45982E-07 228 0.167E-03
1 F= -.38256627E+03 E0= -.38258350E+03 d E =0.516958E-01