iterations/neb0_image03_iter38_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 0.144899534760E+04 0.14490E+04 -0.44199E+04 330 0.697E+02
DAV: 2 0.224565682595E+03 -0.12244E+04 -0.11483E+04 435 0.163E+02
DAV: 3 -0.362598838136E+03 -0.58716E+03 -0.58371E+03 345 0.114E+02
DAV: 4 -0.433446792793E+03 -0.70848E+02 -0.70621E+02 309 0.508E+01
DAV: 5 -0.435038569243E+03 -0.15918E+01 -0.15891E+01 318 0.783E+00 0.426E+01
DAV: 6 -0.389063603666E+03 0.45975E+02 -0.14809E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385593722705E+03 0.34699E+01 -0.13191E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384129186932E+03 0.14645E+01 -0.18872E+00 327 0.380E+00 0.437E+00
DAV: 9 -0.383595974325E+03 0.53321E+00 -0.13661E+00 363 0.242E+00 0.131E+00
DAV: 10 -0.383519695400E+03 0.76279E-01 -0.27920E-01 318 0.109E+00 0.105E+00
DAV: 11 -0.383496119367E+03 0.23576E-01 -0.19887E-01 327 0.591E-01 0.842E-01
DAV: 12 -0.383480518212E+03 0.15601E-01 -0.23951E-01 336 0.554E-01 0.107E+00
DAV: 13 -0.383457328266E+03 0.23190E-01 -0.86774E-02 345 0.384E-01 0.419E-01
DAV: 14 -0.383444380519E+03 0.12948E-01 -0.23137E-02 309 0.423E-01 0.408E-01
DAV: 15 -0.383444175395E+03 0.20512E-03 -0.34471E-02 345 0.408E-01 0.351E-01
DAV: 16 -0.383447150784E+03 -0.29754E-02 -0.66105E-03 318 0.257E-01 0.180E-01
DAV: 17 -0.383453102831E+03 -0.59520E-02 -0.31276E-03 282 0.152E-01 0.131E-01
DAV: 18 -0.383460292039E+03 -0.71892E-02 -0.26188E-03 309 0.157E-01 0.184E-01
DAV: 19 -0.383466829226E+03 -0.65372E-02 -0.20808E-03 327 0.119E-01 0.115E-01
DAV: 20 -0.383475098549E+03 -0.82693E-02 -0.15001E-03 300 0.112E-01 0.795E-02
DAV: 21 -0.383484317778E+03 -0.92192E-02 -0.14950E-03 345 0.106E-01 0.840E-02
DAV: 22 -0.383486993754E+03 -0.26760E-02 -0.27917E-04 318 0.470E-02 0.541E-02
DAV: 23 -0.383488829760E+03 -0.18360E-02 -0.13977E-04 318 0.295E-02 0.201E-02
DAV: 24 -0.383491665001E+03 -0.28352E-02 -0.11946E-04 300 0.217E-02 0.139E-02
DAV: 25 -0.383493752221E+03 -0.20872E-02 -0.11558E-04 300 0.180E-02 0.183E-02
DAV: 26 -0.383494534658E+03 -0.78244E-03 -0.40845E-05 291 0.120E-02 0.612E-03
DAV: 27 -0.383494872908E+03 -0.33825E-03 -0.10501E-05 237 0.688E-03 0.488E-03
DAV: 28 -0.383495065506E+03 -0.19260E-03 -0.60915E-06 219 0.505E-03 0.411E-03
DAV: 29 -0.383495174944E+03 -0.10944E-03 -0.42798E-06 228 0.460E-03 0.298E-03
DAV: 30 -0.383495208151E+03 -0.33207E-04 -0.12699E-06 228 0.263E-03 0.164E-03
DAV: 31 -0.383495248896E+03 -0.40745E-04 -0.17467E-06 183 0.298E-03 0.119E-03
DAV: 32 -0.383495261195E+03 -0.12299E-04 -0.56514E-07 228 0.179E-03 0.102E-03
DAV: 33 -0.383495266308E+03 -0.51125E-05 -0.37445E-07 219 0.147E-03
1 F= -.38349527E+03 E0= -.38351181E+03 d E =0.496252E-01