iterations/neb0_image08_iter37_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 0.144310224305E+04 0.14431E+04 -0.44213E+04 330 0.697E+02
DAV: 2 0.232383718880E+03 -0.12107E+04 -0.11370E+04 417 0.163E+02
DAV: 3 -0.361030229630E+03 -0.59341E+03 -0.58850E+03 363 0.115E+02
DAV: 4 -0.430279598011E+03 -0.69249E+02 -0.69006E+02 309 0.492E+01
DAV: 5 -0.431850821596E+03 -0.15712E+01 -0.15680E+01 327 0.766E+00 0.424E+01
DAV: 6 -0.386701268994E+03 0.45150E+02 -0.14764E+02 309 0.286E+01 0.207E+01
DAV: 7 -0.383342356607E+03 0.33589E+01 -0.11975E+01 345 0.770E+00 0.103E+01
DAV: 8 -0.381899121781E+03 0.14432E+01 -0.25482E+00 327 0.394E+00 0.433E+00
DAV: 9 -0.381352579841E+03 0.54654E+00 -0.88489E-01 336 0.204E+00 0.101E+00
DAV: 10 -0.381276138158E+03 0.76442E-01 -0.12679E-01 318 0.992E-01 0.954E-01
DAV: 11 -0.381267582513E+03 0.85556E-02 -0.34436E-01 354 0.735E-01 0.113E+00
DAV: 12 -0.381234654346E+03 0.32928E-01 -0.11916E-01 345 0.436E-01 0.620E-01
DAV: 13 -0.381227165137E+03 0.74892E-02 -0.63661E-02 372 0.347E-01 0.601E-01
DAV: 14 -0.381210543461E+03 0.16622E-01 -0.46865E-02 309 0.430E-01 0.212E-01
DAV: 15 -0.381213760494E+03 -0.32170E-02 -0.13126E-02 327 0.296E-01 0.325E-01
DAV: 16 -0.381218854671E+03 -0.50942E-02 -0.31389E-03 309 0.185E-01 0.150E-01
DAV: 17 -0.381231576959E+03 -0.12722E-01 -0.83988E-03 336 0.301E-01 0.269E-01
DAV: 18 -0.381238921613E+03 -0.73447E-02 -0.53698E-03 336 0.203E-01 0.169E-01
DAV: 19 -0.381239673848E+03 -0.75223E-03 -0.10005E-03 345 0.734E-02 0.123E-01
DAV: 20 -0.381244492200E+03 -0.48184E-02 -0.34715E-04 300 0.418E-02 0.120E-01
DAV: 21 -0.381252692772E+03 -0.82006E-02 -0.11592E-03 309 0.691E-02 0.491E-02
DAV: 22 -0.381255066600E+03 -0.23738E-02 -0.27507E-04 336 0.402E-02 0.520E-02
DAV: 23 -0.381256168471E+03 -0.11019E-02 -0.48435E-05 327 0.193E-02 0.426E-02
DAV: 24 -0.381260146428E+03 -0.39780E-02 -0.19561E-04 291 0.278E-02 0.191E-02
DAV: 25 -0.381262052668E+03 -0.19062E-02 -0.94186E-05 309 0.210E-02 0.127E-02
DAV: 26 -0.381262782172E+03 -0.72950E-03 -0.32823E-05 318 0.134E-02 0.115E-02
DAV: 27 -0.381263433869E+03 -0.65170E-03 -0.18517E-05 228 0.897E-03 0.761E-03
DAV: 28 -0.381263824405E+03 -0.39054E-03 -0.17345E-05 255 0.886E-03 0.564E-03
DAV: 29 -0.381263958117E+03 -0.13371E-03 -0.55456E-06 237 0.589E-03 0.350E-03
DAV: 30 -0.381264034403E+03 -0.76286E-04 -0.23618E-06 201 0.364E-03 0.175E-03
DAV: 31 -0.381264099252E+03 -0.64849E-04 -0.22682E-06 219 0.325E-03 0.148E-03
DAV: 32 -0.381264125747E+03 -0.26495E-04 -0.10485E-06 210 0.234E-03 0.114E-03
DAV: 33 -0.381264142015E+03 -0.16267E-04 -0.90823E-07 219 0.213E-03 0.115E-03
DAV: 34 -0.381264146299E+03 -0.42844E-05 -0.28525E-07 228 0.155E-03
1 F= -.38126415E+03 E0= -.38128230E+03 d E =0.544759E-01