iterations/neb0_image05_iter7_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 0.145063593823E+04 0.14506E+04 -0.44212E+04 330 0.697E+02
DAV: 2 0.232728487134E+03 -0.12179E+04 -0.11430E+04 417 0.163E+02
DAV: 3 -0.360978985239E+03 -0.59371E+03 -0.59048E+03 345 0.114E+02
DAV: 4 -0.433157941372E+03 -0.72179E+02 -0.71928E+02 318 0.516E+01
DAV: 5 -0.434797733932E+03 -0.16398E+01 -0.16372E+01 318 0.797E+00 0.426E+01
DAV: 6 -0.388940059505E+03 0.45858E+02 -0.14702E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385487621666E+03 0.34524E+01 -0.13480E+01 345 0.785E+00 0.104E+01
DAV: 8 -0.384040184762E+03 0.14474E+01 -0.21980E+00 336 0.389E+00 0.437E+00
DAV: 9 -0.383483791690E+03 0.55639E+00 -0.13467E+00 345 0.238E+00 0.126E+00
DAV: 10 -0.383423823100E+03 0.59969E-01 -0.29654E-01 336 0.118E+00 0.101E+00
DAV: 11 -0.383396328608E+03 0.27494E-01 -0.71078E-02 327 0.595E-01 0.682E-01
DAV: 12 -0.383369100967E+03 0.27228E-01 -0.45458E-02 327 0.567E-01 0.583E-01
DAV: 13 -0.383357064773E+03 0.12036E-01 -0.28165E-02 345 0.423E-01 0.559E-01
DAV: 14 -0.383349875687E+03 0.71891E-02 -0.43643E-02 327 0.373E-01 0.434E-01
DAV: 15 -0.383351521578E+03 -0.16459E-02 -0.12436E-02 345 0.305E-01 0.442E-01
DAV: 16 -0.383352372700E+03 -0.85112E-03 -0.27627E-02 300 0.290E-01 0.233E-01
DAV: 17 -0.383357692206E+03 -0.53195E-02 -0.56720E-03 300 0.253E-01 0.240E-01
DAV: 18 -0.383363254905E+03 -0.55627E-02 -0.28196E-03 318 0.155E-01 0.166E-01
DAV: 19 -0.383374808689E+03 -0.11554E-01 -0.23535E-03 291 0.156E-01 0.827E-02
DAV: 20 -0.383384012727E+03 -0.92040E-02 -0.16473E-03 318 0.114E-01 0.905E-02
DAV: 21 -0.383388704022E+03 -0.46913E-02 -0.48654E-04 327 0.616E-02 0.422E-02
DAV: 22 -0.383392774420E+03 -0.40704E-02 -0.21159E-04 309 0.335E-02 0.355E-02
DAV: 23 -0.383396667588E+03 -0.38932E-02 -0.22743E-04 300 0.309E-02 0.224E-02
DAV: 24 -0.383398187932E+03 -0.15203E-02 -0.63509E-05 327 0.176E-02 0.147E-02
DAV: 25 -0.383398904150E+03 -0.71622E-03 -0.18387E-05 228 0.112E-02 0.136E-02
DAV: 26 -0.383399912177E+03 -0.10080E-02 -0.56166E-05 273 0.130E-02 0.631E-03
DAV: 27 -0.383400128520E+03 -0.21634E-03 -0.42011E-06 237 0.585E-03 0.457E-03
DAV: 28 -0.383400357985E+03 -0.22947E-03 -0.96408E-06 201 0.756E-03 0.340E-03
DAV: 29 -0.383400429609E+03 -0.71624E-04 -0.23744E-06 228 0.388E-03 0.280E-03
DAV: 30 -0.383400504074E+03 -0.74465E-04 -0.28122E-06 219 0.410E-03 0.167E-03
DAV: 31 -0.383400536594E+03 -0.32520E-04 -0.12984E-06 210 0.228E-03 0.999E-04
DAV: 32 -0.383400557774E+03 -0.21181E-04 -0.86374E-07 228 0.213E-03 0.656E-04
DAV: 33 -0.383400570202E+03 -0.12428E-04 -0.49705E-07 210 0.135E-03 0.459E-04
DAV: 34 -0.383400575503E+03 -0.53007E-05 -0.25333E-07 228 0.998E-04
1 F= -.38340058E+03 E0= -.38341719E+03 d E =0.498319E-01