iterations/neb0_image07_iter12_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 0.145241503620E+04 0.14524E+04 -0.44244E+04 330 0.697E+02
DAV: 2 0.229139769754E+03 -0.12233E+04 -0.11476E+04 426 0.163E+02
DAV: 3 -0.361080096716E+03 -0.59022E+03 -0.58682E+03 345 0.114E+02
DAV: 4 -0.432899835702E+03 -0.71820E+02 -0.71554E+02 318 0.512E+01
DAV: 5 -0.434521139624E+03 -0.16213E+01 -0.16186E+01 318 0.793E+00 0.427E+01
DAV: 6 -0.388686800617E+03 0.45834E+02 -0.14734E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385219527620E+03 0.34673E+01 -0.13208E+01 345 0.782E+00 0.104E+01
DAV: 8 -0.383787306923E+03 0.14322E+01 -0.25406E+00 345 0.392E+00 0.434E+00
DAV: 9 -0.383247909352E+03 0.53940E+00 -0.13987E+00 336 0.237E+00 0.123E+00
DAV: 10 -0.383163582184E+03 0.84327E-01 -0.15459E-01 336 0.112E+00 0.112E+00
DAV: 11 -0.383153446201E+03 0.10136E-01 -0.51671E-01 372 0.934E-01 0.787E-01
DAV: 12 -0.383127510626E+03 0.25936E-01 -0.59042E-02 318 0.484E-01 0.697E-01
DAV: 13 -0.383122200119E+03 0.53105E-02 -0.11519E-01 363 0.411E-01 0.800E-01
DAV: 14 -0.383096089660E+03 0.26110E-01 -0.30894E-02 336 0.527E-01 0.317E-01
DAV: 15 -0.383094628606E+03 0.14611E-02 -0.17309E-02 327 0.381E-01 0.235E-01
DAV: 16 -0.383099353721E+03 -0.47251E-02 -0.42300E-03 327 0.213E-01 0.183E-01
DAV: 17 -0.383107677877E+03 -0.83242E-02 -0.34435E-03 309 0.225E-01 0.175E-01
DAV: 18 -0.383118950827E+03 -0.11273E-01 -0.77161E-03 327 0.248E-01 0.267E-01
DAV: 19 -0.383118799064E+03 0.15176E-03 -0.19219E-03 327 0.103E-01 0.274E-01
DAV: 20 -0.383118816003E+03 -0.16939E-04 -0.40143E-05 309 0.150E-02 0.275E-01
DAV: 21 -0.383119291115E+03 -0.47511E-03 -0.21362E-04 336 0.337E-02 0.214E-01
DAV: 22 -0.383125751197E+03 -0.64601E-02 -0.49003E-03 309 0.136E-01 0.207E-01
DAV: 23 -0.383132396990E+03 -0.66458E-02 -0.22396E-03 300 0.975E-02 0.230E-01
DAV: 24 -0.383134147007E+03 -0.17500E-02 -0.75453E-04 327 0.545E-02 0.241E-01
DAV: 25 -0.383140300400E+03 -0.61534E-02 -0.17779E-03 282 0.789E-02 0.334E-01
DAV: 26 -0.383142409963E+03 -0.21096E-02 -0.57010E-04 327 0.475E-02 0.315E-01
DAV: 27 -0.383143196823E+03 -0.78686E-03 -0.20578E-04 327 0.377E-02 0.260E-01
DAV: 28 -0.383143115784E+03 0.81038E-04 -0.34190E-05 300 0.146E-02 0.240E-01
DAV: 29 -0.383143095247E+03 0.20538E-04 -0.56490E-06 246 0.589E-03 0.231E-01
DAV: 30 -0.383143355283E+03 -0.26004E-03 -0.20746E-04 291 0.335E-02 0.168E-01
DAV: 31 -0.383144016474E+03 -0.66119E-03 -0.46437E-04 309 0.535E-02 0.601E-02
DAV: 32 -0.383144910255E+03 -0.89378E-03 -0.47878E-04 300 0.530E-02 0.644E-02
DAV: 33 -0.383145114252E+03 -0.20400E-03 -0.40494E-05 318 0.168E-02 0.668E-02
DAV: 34 -0.383145382382E+03 -0.26813E-03 -0.56653E-05 282 0.173E-02 0.953E-02
DAV: 35 -0.383145559744E+03 -0.17736E-03 -0.13893E-05 237 0.858E-03 0.102E-01
DAV: 36 -0.383145553623E+03 0.61214E-05 -0.43618E-05 327 0.180E-02
1 F= -.38314555E+03 E0= -.38316244E+03 d E =0.506679E-01