iterations/neb0_image03_iter50_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 0.144927858314E+04 0.14493E+04 -0.44198E+04 330 0.697E+02
DAV: 2 0.224634472674E+03 -0.12246E+04 -0.11487E+04 435 0.163E+02
DAV: 3 -0.362536131423E+03 -0.58717E+03 -0.58379E+03 345 0.114E+02
DAV: 4 -0.433431976656E+03 -0.70896E+02 -0.70665E+02 309 0.509E+01
DAV: 5 -0.435024695285E+03 -0.15927E+01 -0.15901E+01 318 0.784E+00 0.426E+01
DAV: 6 -0.389004585897E+03 0.46020E+02 -0.14813E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385546193693E+03 0.34584E+01 -0.13716E+01 345 0.781E+00 0.104E+01
DAV: 8 -0.384094535227E+03 0.14517E+01 -0.27445E+00 327 0.395E+00 0.443E+00
DAV: 9 -0.383527999897E+03 0.56654E+00 -0.95911E-01 336 0.239E+00 0.142E+00
DAV: 10 -0.383466614499E+03 0.61385E-01 -0.71662E-01 336 0.126E+00 0.864E-01
DAV: 11 -0.383430611964E+03 0.36003E-01 -0.42877E-02 318 0.524E-01 0.777E-01
DAV: 12 -0.383432052767E+03 -0.14408E-02 -0.85633E-02 354 0.746E-01 0.111E+00
DAV: 13 -0.383398779315E+03 0.33273E-01 -0.17269E-01 336 0.579E-01 0.114E+00
DAV: 14 -0.383385563076E+03 0.13216E-01 -0.98799E-02 318 0.319E-01 0.466E-01
DAV: 15 -0.383383136481E+03 0.24266E-02 -0.31027E-02 345 0.407E-01 0.494E-01
DAV: 16 -0.383384456245E+03 -0.13198E-02 -0.12186E-02 345 0.302E-01 0.350E-01
DAV: 17 -0.383388072469E+03 -0.36162E-02 -0.47993E-03 318 0.214E-01 0.243E-01
DAV: 18 -0.383394117552E+03 -0.60451E-02 -0.21381E-03 300 0.135E-01 0.136E-01
DAV: 19 -0.383406971912E+03 -0.12854E-01 -0.36978E-03 300 0.172E-01 0.144E-01
DAV: 20 -0.383415945621E+03 -0.89737E-02 -0.21431E-03 318 0.147E-01 0.147E-01
DAV: 21 -0.383421622158E+03 -0.56765E-02 -0.13953E-03 336 0.971E-02 0.600E-02
DAV: 22 -0.383424999157E+03 -0.33770E-02 -0.22819E-04 318 0.416E-02 0.458E-02
DAV: 23 -0.383429219321E+03 -0.42202E-02 -0.22173E-04 318 0.298E-02 0.306E-02
DAV: 24 -0.383433370452E+03 -0.41511E-02 -0.28331E-04 291 0.309E-02 0.157E-02
DAV: 25 -0.383434311433E+03 -0.94098E-03 -0.37847E-05 291 0.157E-02 0.124E-02
DAV: 26 -0.383435003064E+03 -0.69163E-03 -0.31603E-05 264 0.121E-02 0.136E-02
DAV: 27 -0.383435632750E+03 -0.62969E-03 -0.22939E-05 246 0.900E-03 0.904E-03
DAV: 28 -0.383435872505E+03 -0.23975E-03 -0.69759E-06 228 0.531E-03 0.611E-03
DAV: 29 -0.383436012669E+03 -0.14016E-03 -0.65621E-06 210 0.645E-03 0.321E-03
DAV: 30 -0.383436057016E+03 -0.44348E-04 -0.22724E-06 228 0.360E-03 0.176E-03
DAV: 31 -0.383436084001E+03 -0.26985E-04 -0.10952E-06 201 0.233E-03 0.231E-03
DAV: 32 -0.383436118558E+03 -0.34556E-04 -0.11935E-06 192 0.202E-03 0.293E-03
DAV: 33 -0.383436127163E+03 -0.86048E-05 -0.42397E-07 228 0.159E-03
1 F= -.38343613E+03 E0= -.38345259E+03 d E =0.493883E-01