iterations/neb0_image05_iter5_OSZICAR.out output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.161947993574E+04 0.16195E+04 -0.42282E+04 306 0.697E+02
DAV: 2 0.300082397332E+03 -0.13194E+04 -0.12414E+04 420 0.168E+02
DAV: 3 -0.358327513902E+03 -0.65841E+03 -0.65485E+03 364 0.123E+02
DAV: 4 -0.433319427908E+03 -0.74992E+02 -0.74714E+02 308 0.528E+01
DAV: 5 -0.434986849734E+03 -0.16674E+01 -0.16647E+01 340 0.807E+00 0.426E+01
DAV: 6 -0.389005444386E+03 0.45981E+02 -0.14974E+02 316 0.286E+01 0.208E+01
DAV: 7 -0.385511706583E+03 0.34937E+01 -0.12574E+01 340 0.770E+00 0.104E+01
DAV: 8 -0.384086691027E+03 0.14250E+01 -0.26986E+00 332 0.389E+00 0.431E+00
DAV: 9 -0.383511285627E+03 0.57541E+00 -0.61912E-01 332 0.196E+00 0.990E-01
DAV: 10 -0.383455756168E+03 0.55529E-01 -0.22015E-01 332 0.104E+00 0.933E-01
DAV: 11 -0.383445685840E+03 0.10070E-01 -0.13199E-01 324 0.492E-01 0.714E-01
DAV: 12 -0.383427649262E+03 0.18037E-01 -0.16388E-02 308 0.331E-01 0.447E-01
DAV: 13 -0.383411330737E+03 0.16319E-01 -0.35780E-02 308 0.455E-01 0.279E-01
DAV: 14 -0.383415437705E+03 -0.41070E-02 -0.28017E-02 332 0.304E-01 0.278E-01
DAV: 15 -0.383418659319E+03 -0.32216E-02 -0.15333E-02 300 0.237E-01 0.184E-01
DAV: 16 -0.383428863857E+03 -0.10205E-01 -0.44933E-03 300 0.175E-01 0.111E-01
DAV: 17 -0.383440504126E+03 -0.11640E-01 -0.28192E-03 300 0.138E-01 0.716E-02
DAV: 18 -0.383449172493E+03 -0.86684E-02 -0.14064E-03 332 0.979E-02 0.597E-02
DAV: 19 -0.383458080002E+03 -0.89075E-02 -0.70301E-04 300 0.536E-02 0.335E-02
DAV: 20 -0.383463980458E+03 -0.59005E-02 -0.35590E-04 324 0.427E-02 0.224E-02
DAV: 21 -0.383467680718E+03 -0.37003E-02 -0.18076E-04 300 0.276E-02 0.125E-02
DAV: 22 -0.383469789149E+03 -0.21084E-02 -0.10270E-04 308 0.199E-02 0.941E-03
DAV: 23 -0.383470762520E+03 -0.97337E-03 -0.39787E-05 276 0.115E-02 0.567E-03
DAV: 24 -0.383471462483E+03 -0.69996E-03 -0.38646E-05 260 0.125E-02 0.354E-03
DAV: 25 -0.383471665209E+03 -0.20273E-03 -0.73461E-06 228 0.570E-03 0.327E-03
DAV: 26 -0.383471762513E+03 -0.97304E-04 -0.34589E-06 212 0.448E-03 0.157E-03
DAV: 27 -0.383471863761E+03 -0.10125E-03 -0.53168E-06 212 0.521E-03 0.274E-03
DAV: 28 -0.383471884111E+03 -0.20350E-04 -0.12766E-06 228 0.317E-03 0.185E-03
DAV: 29 -0.383471899741E+03 -0.15630E-04 -0.16130E-06 212 0.330E-03 0.970E-04
DAV: 30 -0.383471911124E+03 -0.11384E-04 -0.45533E-07 220 0.195E-03 0.418E-04
DAV: 31 -0.383471921617E+03 -0.10493E-04 -0.43543E-07 212 0.130E-03 0.615E-04
DAV: 32 -0.383471924179E+03 -0.25617E-05 -0.10472E-07 228 0.900E-04
1 F= -.38347192E+03 E0= -.38348528E+03 d E =0.400773E-01