iterations/neb0_image03_iter44_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 0.144910224575E+04 0.14491E+04 -0.44199E+04 330 0.697E+02
DAV: 2 0.224553899312E+03 -0.12245E+04 -0.11484E+04 435 0.163E+02
DAV: 3 -0.362625178684E+03 -0.58718E+03 -0.58378E+03 345 0.114E+02
DAV: 4 -0.433461777824E+03 -0.70837E+02 -0.70609E+02 309 0.509E+01
DAV: 5 -0.435053747168E+03 -0.15920E+01 -0.15893E+01 318 0.783E+00 0.426E+01
DAV: 6 -0.389057027778E+03 0.45997E+02 -0.14815E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385581933197E+03 0.34751E+01 -0.13094E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.384130695771E+03 0.14512E+01 -0.20022E+00 327 0.383E+00 0.440E+00
DAV: 9 -0.383596270972E+03 0.53442E+00 -0.18077E+00 363 0.250E+00 0.144E+00
DAV: 10 -0.383513984025E+03 0.82287E-01 -0.36654E-01 327 0.116E+00 0.118E+00
DAV: 11 -0.383492427519E+03 0.21557E-01 -0.27073E-01 345 0.644E-01 0.758E-01
DAV: 12 -0.383465737967E+03 0.26690E-01 -0.34259E-02 318 0.434E-01 0.582E-01
DAV: 13 -0.383444920999E+03 0.20817E-01 -0.95304E-02 345 0.617E-01 0.679E-01
DAV: 14 -0.383438409788E+03 0.65112E-02 -0.48612E-02 327 0.355E-01 0.555E-01
DAV: 15 -0.383437967142E+03 0.44265E-03 -0.80197E-02 336 0.373E-01 0.486E-01
DAV: 16 -0.383438046595E+03 -0.79453E-04 -0.12342E-02 300 0.387E-01 0.480E-01
DAV: 17 -0.383438520088E+03 -0.47349E-03 -0.70874E-03 318 0.193E-01 0.173E-01
DAV: 18 -0.383447123628E+03 -0.86035E-02 -0.28163E-03 282 0.141E-01 0.173E-01
DAV: 19 -0.383457300604E+03 -0.10177E-01 -0.31255E-03 318 0.140E-01 0.147E-01
DAV: 20 -0.383466300839E+03 -0.90002E-02 -0.20670E-03 309 0.146E-01 0.720E-02
DAV: 21 -0.383471781176E+03 -0.54803E-02 -0.88084E-04 327 0.836E-02 0.477E-02
DAV: 22 -0.383475904821E+03 -0.41236E-02 -0.18003E-04 309 0.321E-02 0.498E-02
DAV: 23 -0.383480512197E+03 -0.46074E-02 -0.25448E-04 309 0.325E-02 0.206E-02
DAV: 24 -0.383483364567E+03 -0.28524E-02 -0.12714E-04 318 0.224E-02 0.171E-02
DAV: 25 -0.383484489940E+03 -0.11254E-02 -0.34094E-05 291 0.115E-02 0.170E-02
DAV: 26 -0.383485916504E+03 -0.14266E-02 -0.91186E-05 291 0.175E-02 0.138E-02
DAV: 27 -0.383486199861E+03 -0.28336E-03 -0.10787E-05 237 0.883E-03 0.106E-02
DAV: 28 -0.383486326429E+03 -0.12657E-03 -0.73665E-06 219 0.723E-03 0.541E-03
DAV: 29 -0.383486403529E+03 -0.77100E-04 -0.28247E-06 237 0.423E-03 0.372E-03
DAV: 30 -0.383486495479E+03 -0.91950E-04 -0.29597E-06 201 0.371E-03 0.294E-03
DAV: 31 -0.383486534274E+03 -0.38795E-04 -0.16620E-06 219 0.291E-03 0.179E-03
DAV: 32 -0.383486559449E+03 -0.25175E-04 -0.95378E-07 219 0.211E-03 0.664E-04
DAV: 33 -0.383486571776E+03 -0.12327E-04 -0.56318E-07 210 0.138E-03 0.763E-04
DAV: 34 -0.383486578575E+03 -0.67986E-05 -0.25247E-07 228 0.102E-03
1 F= -.38348658E+03 E0= -.38350307E+03 d E =0.494595E-01