iterations/neb0_image04_iter19_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 0.144964760346E+04 0.14496E+04 -0.44202E+04 330 0.697E+02
DAV: 2 0.225319830862E+03 -0.12243E+04 -0.11496E+04 435 0.163E+02
DAV: 3 -0.362413810492E+03 -0.58773E+03 -0.58443E+03 345 0.114E+02
DAV: 4 -0.433323392569E+03 -0.70910E+02 -0.70649E+02 318 0.509E+01
DAV: 5 -0.434910614843E+03 -0.15872E+01 -0.15848E+01 318 0.784E+00 0.426E+01
DAV: 6 -0.389023525306E+03 0.45887E+02 -0.14764E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385572084448E+03 0.34514E+01 -0.13485E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384111419090E+03 0.14607E+01 -0.22248E+00 327 0.387E+00 0.435E+00
DAV: 9 -0.383571725480E+03 0.53969E+00 -0.16266E+00 327 0.242E+00 0.132E+00
DAV: 10 -0.383495053413E+03 0.76672E-01 -0.21364E-01 327 0.114E+00 0.980E-01
DAV: 11 -0.383474626039E+03 0.20427E-01 -0.23572E-01 336 0.672E-01 0.101E+00
DAV: 12 -0.383463356564E+03 0.11269E-01 -0.37799E-01 345 0.736E-01 0.991E-01
DAV: 13 -0.383438402586E+03 0.24954E-01 -0.13906E-01 354 0.557E-01 0.684E-01
DAV: 14 -0.383428035570E+03 0.10367E-01 -0.66012E-02 336 0.381E-01 0.578E-01
DAV: 15 -0.383421898434E+03 0.61371E-02 -0.39812E-02 336 0.464E-01 0.427E-01
DAV: 16 -0.383422918596E+03 -0.10202E-02 -0.18611E-02 336 0.292E-01 0.174E-01
DAV: 17 -0.383429125814E+03 -0.62072E-02 -0.71440E-03 300 0.219E-01 0.186E-01
DAV: 18 -0.383432091192E+03 -0.29654E-02 -0.26992E-03 318 0.114E-01 0.126E-01
DAV: 19 -0.383443955127E+03 -0.11864E-01 -0.36415E-03 291 0.173E-01 0.126E-01
DAV: 20 -0.383450248293E+03 -0.62932E-02 -0.13424E-03 318 0.105E-01 0.567E-02
DAV: 21 -0.383457064753E+03 -0.68165E-02 -0.56369E-04 318 0.616E-02 0.533E-02
DAV: 22 -0.383463611083E+03 -0.65463E-02 -0.47033E-04 318 0.534E-02 0.366E-02
DAV: 23 -0.383466798584E+03 -0.31875E-02 -0.16164E-04 309 0.317E-02 0.226E-02
DAV: 24 -0.383469678313E+03 -0.28797E-02 -0.15761E-04 309 0.254E-02 0.147E-02
DAV: 25 -0.383471578639E+03 -0.19003E-02 -0.10758E-04 291 0.182E-02 0.161E-02
DAV: 26 -0.383472002254E+03 -0.42362E-03 -0.12535E-05 237 0.914E-03 0.605E-03
DAV: 27 -0.383472477728E+03 -0.47547E-03 -0.26410E-05 237 0.945E-03 0.890E-03
DAV: 28 -0.383472613368E+03 -0.13564E-03 -0.30336E-06 237 0.599E-03 0.398E-03
DAV: 29 -0.383472748628E+03 -0.13526E-03 -0.50137E-06 201 0.469E-03 0.263E-03
DAV: 30 -0.383472807942E+03 -0.59314E-04 -0.20001E-06 228 0.320E-03 0.256E-03
DAV: 31 -0.383472841700E+03 -0.33758E-04 -0.13204E-06 210 0.274E-03 0.192E-03
DAV: 32 -0.383472867143E+03 -0.25443E-04 -0.10072E-06 210 0.198E-03 0.150E-03
DAV: 33 -0.383472873550E+03 -0.64076E-05 -0.34489E-07 228 0.138E-03
1 F= -.38347287E+03 E0= -.38348957E+03 d E =0.500830E-01