iterations/neb0_image08_iter49_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 0.144588817298E+04 0.14459E+04 -0.44212E+04 330 0.697E+02
DAV: 2 0.227710326947E+03 -0.12182E+04 -0.11446E+04 426 0.163E+02
DAV: 3 -0.361571624670E+03 -0.58928E+03 -0.58590E+03 354 0.114E+02
DAV: 4 -0.430232937916E+03 -0.68661E+02 -0.68442E+02 300 0.496E+01
DAV: 5 -0.431812703563E+03 -0.15798E+01 -0.15771E+01 336 0.774E+00 0.426E+01
DAV: 6 -0.386092715204E+03 0.45720E+02 -0.15055E+02 309 0.289E+01 0.208E+01
DAV: 7 -0.382714415109E+03 0.33783E+01 -0.11916E+01 336 0.766E+00 0.104E+01
DAV: 8 -0.381280560704E+03 0.14339E+01 -0.18019E+00 327 0.372E+00 0.419E+00
DAV: 9 -0.380725586105E+03 0.55497E+00 -0.59859E-01 318 0.188E+00 0.869E-01
DAV: 10 -0.380671566884E+03 0.54019E-01 -0.95577E-02 363 0.883E-01 0.669E-01
DAV: 11 -0.380646899107E+03 0.24668E-01 -0.80656E-02 354 0.560E-01 0.719E-01
DAV: 12 -0.380633023001E+03 0.13876E-01 -0.10349E-01 336 0.372E-01 0.343E-01
DAV: 13 -0.380620154358E+03 0.12869E-01 -0.17218E-02 309 0.373E-01 0.169E-01
DAV: 14 -0.380624592449E+03 -0.44381E-02 -0.16935E-02 327 0.322E-01 0.317E-01
DAV: 15 -0.380633112465E+03 -0.85200E-02 -0.17586E-02 300 0.268E-01 0.154E-01
DAV: 16 -0.380647537993E+03 -0.14426E-01 -0.52619E-03 300 0.221E-01 0.653E-02
DAV: 17 -0.380653906072E+03 -0.63681E-02 -0.16080E-03 327 0.101E-01 0.816E-02
DAV: 18 -0.380659434795E+03 -0.55287E-02 -0.40386E-04 336 0.409E-02 0.365E-02
DAV: 19 -0.380668104567E+03 -0.86698E-02 -0.60848E-04 300 0.490E-02 0.224E-02
DAV: 20 -0.380671466741E+03 -0.33622E-02 -0.20187E-04 345 0.292E-02 0.312E-02
DAV: 21 -0.380673876911E+03 -0.24102E-02 -0.14698E-04 291 0.246E-02 0.107E-02
DAV: 22 -0.380675240286E+03 -0.13634E-02 -0.67432E-05 309 0.162E-02 0.160E-02
DAV: 23 -0.380675864733E+03 -0.62445E-03 -0.30550E-05 255 0.108E-02 0.444E-03
DAV: 24 -0.380676318765E+03 -0.45403E-03 -0.23868E-05 255 0.101E-02 0.749E-03
DAV: 25 -0.380676410350E+03 -0.91585E-04 -0.20859E-06 228 0.436E-03 0.737E-03
DAV: 26 -0.380676560669E+03 -0.15032E-03 -0.55435E-06 210 0.639E-03 0.373E-03
DAV: 27 -0.380676599569E+03 -0.38900E-04 -0.28421E-06 228 0.396E-03 0.170E-03
DAV: 28 -0.380676635915E+03 -0.36345E-04 -0.13480E-06 210 0.285E-03 0.151E-03
DAV: 29 -0.380676653881E+03 -0.17966E-04 -0.83148E-07 219 0.218E-03 0.100E-03
DAV: 30 -0.380676662830E+03 -0.89492E-05 -0.34589E-07 219 0.153E-03
1 F= -.38067666E+03 E0= -.38068494E+03 d E =0.248355E-01