iterations/neb0_image09_iter55_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 0.140306607377E+04 0.14031E+04 -0.43830E+04 330 0.697E+02
DAV: 2 0.221407007212E+03 -0.11817E+04 -0.11075E+04 417 0.161E+02
DAV: 3 -0.338445978989E+03 -0.55985E+03 -0.55500E+03 354 0.112E+02
DAV: 4 -0.409485458112E+03 -0.71039E+02 -0.70500E+02 309 0.499E+01
DAV: 5 -0.411299937646E+03 -0.18145E+01 -0.18076E+01 336 0.807E+00 0.404E+01
DAV: 6 -0.371117281619E+03 0.40183E+02 -0.15576E+02 309 0.288E+01 0.214E+01
DAV: 7 -0.369449986771E+03 0.16673E+01 -0.51839E+01 363 0.963E+00 0.143E+01
DAV: 8 -0.366993364453E+03 0.24566E+01 -0.22624E+01 417 0.672E+00 0.900E+00
DAV: 9 -0.365622479248E+03 0.13709E+01 -0.48337E+00 318 0.347E+00 0.266E+00
DAV: 10 -0.365385004615E+03 0.23747E+00 -0.57675E-01 327 0.171E+00 0.954E-01
DAV: 11 -0.365339779103E+03 0.45226E-01 -0.69782E-02 336 0.654E-01 0.649E-01
DAV: 12 -0.365315333666E+03 0.24445E-01 -0.22133E-02 327 0.444E-01 0.318E-01
DAV: 13 -0.365306386450E+03 0.89472E-02 -0.17939E-02 318 0.323E-01 0.215E-01
DAV: 14 -0.365312068100E+03 -0.56817E-02 -0.12697E-02 336 0.253E-01 0.209E-01
DAV: 15 -0.365321025715E+03 -0.89576E-02 -0.70422E-03 309 0.174E-01 0.110E-01
DAV: 16 -0.365331385674E+03 -0.10360E-01 -0.32487E-03 327 0.165E-01 0.630E-02
DAV: 17 -0.365340470141E+03 -0.90845E-02 -0.30944E-03 300 0.140E-01 0.483E-02
DAV: 18 -0.365347245957E+03 -0.67758E-02 -0.89280E-04 336 0.780E-02 0.332E-02
DAV: 19 -0.365352753545E+03 -0.55076E-02 -0.30513E-04 309 0.365E-02 0.228E-02
DAV: 20 -0.365356435162E+03 -0.36816E-02 -0.16809E-04 318 0.245E-02 0.143E-02
DAV: 21 -0.365359330371E+03 -0.28952E-02 -0.19050E-04 282 0.269E-02 0.974E-03
DAV: 22 -0.365360469465E+03 -0.11391E-02 -0.49710E-05 291 0.141E-02 0.733E-03
DAV: 23 -0.365361243864E+03 -0.77440E-03 -0.50964E-05 291 0.146E-02 0.580E-03
DAV: 24 -0.365361455575E+03 -0.21171E-03 -0.65915E-06 237 0.671E-03 0.272E-03
DAV: 25 -0.365361603588E+03 -0.14801E-03 -0.65015E-06 201 0.517E-03 0.275E-03
DAV: 26 -0.365361687608E+03 -0.84020E-04 -0.27571E-06 228 0.393E-03 0.164E-03
DAV: 27 -0.365361743987E+03 -0.56380E-04 -0.29967E-06 210 0.418E-03 0.134E-03
DAV: 28 -0.365361769637E+03 -0.25649E-04 -0.13544E-06 219 0.231E-03 0.999E-04
DAV: 29 -0.365361782506E+03 -0.12870E-04 -0.72434E-07 219 0.169E-03 0.586E-04
DAV: 30 -0.365361789175E+03 -0.66685E-05 -0.31905E-07 219 0.120E-03
1 F= -.36536179E+03 E0= -.36536567E+03 d E =0.116333E-01