iterations/neb0_image01_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 0.144713876871E+04 0.14471E+04 -0.44191E+04 330 0.697E+02
DAV: 2 0.227807957065E+03 -0.12193E+04 -0.11423E+04 426 0.163E+02
DAV: 3 -0.362840744319E+03 -0.59065E+03 -0.58725E+03 345 0.114E+02
DAV: 4 -0.433489748472E+03 -0.70649E+02 -0.70380E+02 318 0.512E+01
DAV: 5 -0.435075211134E+03 -0.15855E+01 -0.15831E+01 318 0.783E+00 0.426E+01
DAV: 6 -0.389094056526E+03 0.45981E+02 -0.14800E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385619607139E+03 0.34744E+01 -0.13380E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.384147569969E+03 0.14720E+01 -0.21106E+00 327 0.381E+00 0.431E+00
DAV: 9 -0.383601440489E+03 0.54613E+00 -0.15494E+00 345 0.237E+00 0.132E+00
DAV: 10 -0.383537062698E+03 0.64378E-01 -0.31078E-01 318 0.111E+00 0.105E+00
DAV: 11 -0.383513899862E+03 0.23163E-01 -0.25058E-01 345 0.627E-01 0.993E-01
DAV: 12 -0.383494539908E+03 0.19360E-01 -0.27003E-01 318 0.713E-01 0.924E-01
DAV: 13 -0.383476105034E+03 0.18435E-01 -0.17210E-01 345 0.550E-01 0.699E-01
DAV: 14 -0.383463164725E+03 0.12940E-01 -0.44418E-02 327 0.392E-01 0.414E-01
DAV: 15 -0.383460684349E+03 0.24804E-02 -0.16048E-02 318 0.410E-01 0.294E-01
DAV: 16 -0.383464991713E+03 -0.43074E-02 -0.79139E-03 318 0.240E-01 0.195E-01
DAV: 17 -0.383472547565E+03 -0.75559E-02 -0.28225E-03 282 0.154E-01 0.150E-01
DAV: 18 -0.383482516166E+03 -0.99686E-02 -0.26733E-03 309 0.155E-01 0.875E-02
DAV: 19 -0.383491473434E+03 -0.89573E-02 -0.23728E-03 363 0.165E-01 0.957E-02
DAV: 20 -0.383492523056E+03 -0.10496E-02 -0.10186E-03 318 0.730E-02 0.984E-02
DAV: 21 -0.383492864961E+03 -0.34190E-03 -0.11381E-04 309 0.292E-02 0.102E-01
DAV: 22 -0.383491867888E+03 0.99707E-03 -0.15973E-04 327 0.683E-02 0.122E-01
DAV: 23 -0.383490909387E+03 0.95850E-03 -0.10926E-03 372 0.127E-01 0.179E-01
DAV: 24 -0.383498249399E+03 -0.73400E-02 -0.18786E-03 273 0.991E-02 0.803E-02
DAV: 25 -0.383501284703E+03 -0.30353E-02 -0.56733E-04 381 0.846E-02 0.706E-02
DAV: 26 -0.383505594861E+03 -0.43102E-02 -0.77565E-04 318 0.598E-02 0.503E-02
DAV: 27 -0.383507213495E+03 -0.16186E-02 -0.23015E-04 381 0.613E-02 0.508E-02
DAV: 28 -0.383510477441E+03 -0.32639E-02 -0.11617E-03 390 0.113E-01 0.683E-02
DAV: 29 -0.383510429832E+03 0.47609E-04 -0.48673E-04 318 0.455E-02 0.638E-02
DAV: 30 -0.383510419319E+03 0.10513E-04 -0.29622E-05 318 0.909E-03 0.641E-02
DAV: 31 -0.383510439113E+03 -0.19794E-04 -0.30309E-05 273 0.169E-02 0.589E-02
DAV: 32 -0.383511392685E+03 -0.95357E-03 -0.17670E-03 399 0.121E-01 0.579E-02
DAV: 33 -0.383511823016E+03 -0.43033E-03 -0.11299E-03 327 0.687E-02 0.860E-02
DAV: 34 -0.383511826752E+03 -0.37361E-05 -0.14246E-04 336 0.260E-02 0.103E-01
DAV: 35 -0.383511895638E+03 -0.68886E-04 -0.58007E-05 381 0.264E-02 0.105E-01
DAV: 36 -0.383511358723E+03 0.53692E-03 -0.11563E-03 417 0.129E-01 0.149E-01
DAV: 37 -0.383512597713E+03 -0.12390E-02 -0.25671E-03 426 0.206E-01 0.433E-02
DAV: 38 -0.383513032688E+03 -0.43497E-03 -0.22856E-03 318 0.921E-02 0.443E-02
DAV: 39 -0.383513973600E+03 -0.94091E-03 -0.48211E-04 300 0.442E-02 0.915E-02
DAV: 40 -0.383514442654E+03 -0.46905E-03 -0.27453E-04 336 0.373E-02 0.396E-02
DAV: 41 -0.383514541307E+03 -0.98654E-04 -0.51222E-05 336 0.198E-02 0.284E-02
DAV: 42 -0.383514866614E+03 -0.32531E-03 -0.26427E-04 363 0.513E-02 0.381E-02
DAV: 43 -0.383515152942E+03 -0.28633E-03 -0.31510E-04 354 0.444E-02 0.548E-02
DAV: 44 -0.383515320635E+03 -0.16769E-03 -0.13890E-04 381 0.314E-02 0.687E-02
DAV: 45 -0.383515332154E+03 -0.11519E-04 -0.30552E-05 291 0.108E-02 0.744E-02
DAV: 46 -0.383515381178E+03 -0.49024E-04 -0.51836E-06 246 0.785E-03 0.749E-02
DAV: 47 -0.383515466109E+03 -0.84931E-04 -0.11774E-05 255 0.126E-02 0.694E-02
DAV: 48 -0.383515724418E+03 -0.25831E-03 -0.15126E-04 363 0.387E-02 0.827E-02
DAV: 49 -0.383515701973E+03 0.22445E-04 -0.54753E-05 300 0.127E-02 0.882E-02
DAV: 50 -0.383515644868E+03 0.57105E-04 -0.10200E-05 237 0.926E-03 0.829E-02
DAV: 51 -0.383515377543E+03 0.26732E-03 -0.22142E-04 354 0.470E-02 0.648E-02
DAV: 52 -0.383515357026E+03 0.20518E-04 -0.11637E-04 309 0.206E-02 0.576E-02
DAV: 53 -0.383515322784E+03 0.34241E-04 -0.18115E-05 273 0.160E-02 0.589E-02
DAV: 54 -0.383515294748E+03 0.28036E-04 -0.23992E-05 327 0.151E-02 0.626E-02
DAV: 55 -0.383515316604E+03 -0.21856E-04 -0.92119E-06 264 0.675E-03 0.646E-02
DAV: 56 -0.383515347819E+03 -0.31216E-04 -0.11587E-05 246 0.791E-03 0.733E-02
DAV: 57 -0.383515348532E+03 -0.71322E-06 -0.33545E-06 201 0.399E-03
1 F= -.38351535E+03 E0= -.38352846E+03 d E =0.393387E-01