iterations/neb0_image01_iter67_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 0.144712843827E+04 0.14471E+04 -0.44190E+04 330 0.697E+02
DAV: 2 0.224039921346E+03 -0.12231E+04 -0.11461E+04 435 0.163E+02
DAV: 3 -0.363106427303E+03 -0.58715E+03 -0.58368E+03 345 0.114E+02
DAV: 4 -0.433496029027E+03 -0.70390E+02 -0.70118E+02 318 0.508E+01
DAV: 5 -0.435069908138E+03 -0.15739E+01 -0.15714E+01 318 0.779E+00 0.426E+01
DAV: 6 -0.389094528503E+03 0.45975E+02 -0.14819E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385628644842E+03 0.34659E+01 -0.13536E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384153627737E+03 0.14750E+01 -0.21763E+00 336 0.385E+00 0.434E+00
DAV: 9 -0.383614032731E+03 0.53960E+00 -0.17713E+00 336 0.243E+00 0.136E+00
DAV: 10 -0.383533240415E+03 0.80792E-01 -0.18510E-01 318 0.112E+00 0.949E-01
DAV: 11 -0.383502876824E+03 0.30364E-01 -0.13256E-01 345 0.689E-01 0.840E-01
DAV: 12 -0.383496470113E+03 0.64067E-02 -0.26265E-01 372 0.636E-01 0.953E-01
DAV: 13 -0.383479651949E+03 0.16818E-01 -0.19290E-01 390 0.519E-01 0.883E-01
DAV: 14 -0.383463207575E+03 0.16444E-01 -0.90385E-02 345 0.396E-01 0.488E-01
DAV: 15 -0.383466750930E+03 -0.35434E-02 -0.12494E-01 309 0.497E-01 0.842E-01
DAV: 16 -0.383458878492E+03 0.78724E-02 -0.11920E-02 318 0.262E-01 0.471E-01
DAV: 17 -0.383462681387E+03 -0.38029E-02 -0.31795E-02 300 0.236E-01 0.237E-01
DAV: 18 -0.383470036580E+03 -0.73552E-02 -0.28535E-03 309 0.170E-01 0.174E-01
DAV: 19 -0.383479839525E+03 -0.98029E-02 -0.19520E-03 327 0.150E-01 0.937E-02
DAV: 20 -0.383491771894E+03 -0.11932E-01 -0.26354E-03 300 0.163E-01 0.127E-01
DAV: 21 -0.383497793957E+03 -0.60221E-02 -0.89902E-04 345 0.949E-02 0.783E-02
DAV: 22 -0.383499913892E+03 -0.21199E-02 -0.23283E-04 363 0.426E-02 0.367E-02
DAV: 23 -0.383504677139E+03 -0.47632E-02 -0.23738E-04 291 0.361E-02 0.228E-02
DAV: 24 -0.383507770920E+03 -0.30938E-02 -0.14000E-04 318 0.230E-02 0.213E-02
DAV: 25 -0.383510045999E+03 -0.22751E-02 -0.11415E-04 291 0.234E-02 0.150E-02
DAV: 26 -0.383511038842E+03 -0.99284E-03 -0.46707E-05 300 0.145E-02 0.108E-02
DAV: 27 -0.383511578812E+03 -0.53997E-03 -0.21934E-05 255 0.121E-02 0.686E-03
DAV: 28 -0.383511826799E+03 -0.24799E-03 -0.63002E-06 228 0.554E-03 0.600E-03
DAV: 29 -0.383512033159E+03 -0.20636E-03 -0.10151E-05 228 0.754E-03 0.319E-03
DAV: 30 -0.383512090210E+03 -0.57051E-04 -0.26608E-06 228 0.400E-03 0.337E-03
DAV: 31 -0.383512117798E+03 -0.27588E-04 -0.98182E-07 210 0.287E-03 0.253E-03
DAV: 32 -0.383512149301E+03 -0.31502E-04 -0.16622E-06 201 0.393E-03 0.188E-03
DAV: 33 -0.383512170730E+03 -0.21429E-04 -0.68076E-07 219 0.258E-03 0.940E-04
DAV: 34 -0.383512180844E+03 -0.10114E-04 -0.79094E-07 201 0.220E-03 0.108E-03
DAV: 35 -0.383512184988E+03 -0.41431E-05 -0.20720E-07 228 0.170E-03
1 F= -.38351218E+03 E0= -.38352872E+03 d E =0.495903E-01