iterations/neb0_image02_iter21_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 0.144806913096E+04 0.14481E+04 -0.44193E+04 330 0.697E+02
DAV: 2 0.224461427774E+03 -0.12236E+04 -0.11470E+04 435 0.163E+02
DAV: 3 -0.362844779080E+03 -0.58731E+03 -0.58416E+03 345 0.114E+02
DAV: 4 -0.433461524046E+03 -0.70617E+02 -0.70378E+02 309 0.508E+01
DAV: 5 -0.435045372234E+03 -0.15838E+01 -0.15812E+01 318 0.781E+00 0.426E+01
DAV: 6 -0.389088722296E+03 0.45957E+02 -0.14802E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385622722151E+03 0.34660E+01 -0.13598E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.384145284719E+03 0.14774E+01 -0.21273E+00 327 0.384E+00 0.433E+00
DAV: 9 -0.383606111820E+03 0.53917E+00 -0.17128E+00 345 0.244E+00 0.138E+00
DAV: 10 -0.383537023662E+03 0.69088E-01 -0.30487E-01 318 0.115E+00 0.105E+00
DAV: 11 -0.383514913393E+03 0.22110E-01 -0.28281E-01 345 0.654E-01 0.986E-01
DAV: 12 -0.383489176307E+03 0.25737E-01 -0.23200E-01 327 0.716E-01 0.908E-01
DAV: 13 -0.383472633909E+03 0.16542E-01 -0.16852E-01 354 0.544E-01 0.672E-01
DAV: 14 -0.383460528747E+03 0.12105E-01 -0.26053E-02 336 0.382E-01 0.338E-01
DAV: 15 -0.383458020421E+03 0.25083E-02 -0.14384E-02 309 0.388E-01 0.205E-01
DAV: 16 -0.383463693604E+03 -0.56732E-02 -0.62805E-03 336 0.240E-01 0.202E-01
DAV: 17 -0.383471943682E+03 -0.82501E-02 -0.24275E-03 291 0.160E-01 0.132E-01
DAV: 18 -0.383481937905E+03 -0.99942E-02 -0.23213E-03 300 0.132E-01 0.814E-02
DAV: 19 -0.383492769692E+03 -0.10832E-01 -0.14708E-03 327 0.125E-01 0.480E-02
DAV: 20 -0.383499009018E+03 -0.62393E-02 -0.67848E-04 309 0.759E-02 0.491E-02
DAV: 21 -0.383502760832E+03 -0.37518E-02 -0.17121E-04 318 0.324E-02 0.381E-02
DAV: 22 -0.383508091345E+03 -0.53305E-02 -0.47587E-04 291 0.495E-02 0.246E-02
DAV: 23 -0.383508927326E+03 -0.83598E-03 -0.40855E-05 327 0.189E-02 0.195E-02
DAV: 24 -0.383509700580E+03 -0.77325E-03 -0.57138E-05 309 0.212E-02 0.105E-02
DAV: 25 -0.383510707901E+03 -0.10073E-02 -0.30095E-05 264 0.114E-02 0.799E-03
DAV: 26 -0.383511424164E+03 -0.71626E-03 -0.31457E-05 273 0.955E-03 0.516E-03
DAV: 27 -0.383511670516E+03 -0.24635E-03 -0.61238E-06 237 0.630E-03 0.349E-03
DAV: 28 -0.383511851101E+03 -0.18058E-03 -0.69697E-06 201 0.532E-03 0.235E-03
DAV: 29 -0.383511888256E+03 -0.37155E-04 -0.22040E-06 237 0.387E-03 0.255E-03
DAV: 30 -0.383511934178E+03 -0.45922E-04 -0.22978E-06 201 0.371E-03 0.216E-03
DAV: 31 -0.383511953711E+03 -0.19533E-04 -0.11330E-06 219 0.253E-03 0.173E-03
DAV: 32 -0.383511962149E+03 -0.84381E-05 -0.83315E-07 228 0.258E-03
1 F= -.38351196E+03 E0= -.38352528E+03 d E =0.399431E-01