iterations/neb0_image06_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 0.144862030411E+04 0.14486E+04 -0.44228E+04 330 0.697E+02
DAV: 2 0.230575646744E+03 -0.12180E+04 -0.11415E+04 417 0.163E+02
DAV: 3 -0.361369376498E+03 -0.59195E+03 -0.58870E+03 345 0.114E+02
DAV: 4 -0.432873199036E+03 -0.71504E+02 -0.71254E+02 309 0.514E+01
DAV: 5 -0.434528004197E+03 -0.16548E+01 -0.16519E+01 318 0.797E+00 0.426E+01
DAV: 6 -0.388729497879E+03 0.45799E+02 -0.14739E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385267105907E+03 0.34624E+01 -0.13062E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.383812501877E+03 0.14546E+01 -0.19338E+00 327 0.382E+00 0.425E+00
DAV: 9 -0.383254177341E+03 0.55832E+00 -0.78186E-01 336 0.202E+00 0.106E+00
DAV: 10 -0.383197575916E+03 0.56601E-01 -0.20965E-01 345 0.919E-01 0.886E-01
DAV: 11 -0.383171605682E+03 0.25970E-01 -0.21571E-01 336 0.549E-01 0.785E-01
DAV: 12 -0.383140967994E+03 0.30638E-01 -0.11875E-01 345 0.558E-01 0.543E-01
DAV: 13 -0.383132053952E+03 0.89140E-02 -0.20509E-02 345 0.343E-01 0.334E-01
DAV: 14 -0.383127171719E+03 0.48822E-02 -0.12814E-02 318 0.343E-01 0.282E-01
DAV: 15 -0.383131837415E+03 -0.46657E-02 -0.86715E-03 327 0.314E-01 0.163E-01
DAV: 16 -0.383140673360E+03 -0.88359E-02 -0.42274E-03 336 0.234E-01 0.146E-01
DAV: 17 -0.383145321772E+03 -0.46484E-02 -0.17364E-03 318 0.109E-01 0.970E-02
DAV: 18 -0.383154018032E+03 -0.86963E-02 -0.14292E-03 282 0.102E-01 0.730E-02
DAV: 19 -0.383161367392E+03 -0.73494E-02 -0.85079E-04 336 0.795E-02 0.463E-02
DAV: 20 -0.383169670458E+03 -0.83031E-02 -0.76353E-04 318 0.761E-02 0.484E-02
DAV: 21 -0.383173499307E+03 -0.38288E-02 -0.26801E-04 327 0.400E-02 0.254E-02
DAV: 22 -0.383176893678E+03 -0.33944E-02 -0.20247E-04 309 0.355E-02 0.220E-02
DAV: 23 -0.383178715461E+03 -0.18218E-02 -0.83817E-05 327 0.200E-02 0.152E-02
DAV: 24 -0.383180164431E+03 -0.14490E-02 -0.74242E-05 291 0.164E-02 0.624E-03
DAV: 25 -0.383180839973E+03 -0.67554E-03 -0.25595E-05 264 0.107E-02 0.560E-03
DAV: 26 -0.383181195180E+03 -0.35521E-03 -0.88538E-06 210 0.629E-03 0.515E-03
DAV: 27 -0.383181446795E+03 -0.25162E-03 -0.13762E-05 237 0.881E-03 0.283E-03
DAV: 28 -0.383181538980E+03 -0.92185E-04 -0.28791E-06 228 0.428E-03 0.285E-03
DAV: 29 -0.383181587395E+03 -0.48415E-04 -0.20191E-06 201 0.380E-03 0.145E-03
DAV: 30 -0.383181623395E+03 -0.36000E-04 -0.13955E-06 210 0.272E-03 0.106E-03
DAV: 31 -0.383181637497E+03 -0.14102E-04 -0.56875E-07 228 0.162E-03 0.999E-04
DAV: 32 -0.383181650221E+03 -0.12724E-04 -0.69959E-07 210 0.249E-03 0.968E-04
DAV: 33 -0.383181655410E+03 -0.51894E-05 -0.26670E-07 228 0.128E-03
1 F= -.38318166E+03 E0= -.38319880E+03 d E =0.514427E-01