iterations/neb0_image05_iter67_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 0.144942857835E+04 0.14494E+04 -0.44227E+04 330 0.697E+02
DAV: 2 0.230516693155E+03 -0.12189E+04 -0.11418E+04 417 0.163E+02
DAV: 3 -0.362107054603E+03 -0.59262E+03 -0.58947E+03 345 0.115E+02
DAV: 4 -0.433400415555E+03 -0.71293E+02 -0.71044E+02 309 0.514E+01
DAV: 5 -0.435047580067E+03 -0.16472E+01 -0.16444E+01 327 0.796E+00 0.427E+01
DAV: 6 -0.388954891117E+03 0.46093E+02 -0.14881E+02 309 0.285E+01 0.209E+01
DAV: 7 -0.385466300747E+03 0.34886E+01 -0.13485E+01 345 0.782E+00 0.104E+01
DAV: 8 -0.384007836972E+03 0.14585E+01 -0.24628E+00 327 0.391E+00 0.434E+00
DAV: 9 -0.383447664576E+03 0.56017E+00 -0.87670E-01 336 0.215E+00 0.128E+00
DAV: 10 -0.383389848226E+03 0.57816E-01 -0.54456E-01 345 0.119E+00 0.956E-01
DAV: 11 -0.383353462189E+03 0.36386E-01 -0.57971E-02 327 0.568E-01 0.661E-01
DAV: 12 -0.383335267831E+03 0.18194E-01 -0.58341E-02 345 0.514E-01 0.611E-01
DAV: 13 -0.383319371689E+03 0.15896E-01 -0.37748E-02 336 0.419E-01 0.617E-01
DAV: 14 -0.383318858112E+03 0.51358E-03 -0.14452E-01 327 0.497E-01 0.741E-01
DAV: 15 -0.383314929703E+03 0.39284E-02 -0.19185E-02 318 0.329E-01 0.475E-01
DAV: 16 -0.383315497349E+03 -0.56765E-03 -0.81609E-03 318 0.204E-01 0.229E-01
DAV: 17 -0.383323663169E+03 -0.81658E-02 -0.30592E-03 291 0.168E-01 0.253E-01
DAV: 18 -0.383333810848E+03 -0.10148E-01 -0.92428E-03 309 0.199E-01 0.216E-01
DAV: 19 -0.383342413000E+03 -0.86022E-02 -0.44687E-03 318 0.175E-01 0.817E-02
DAV: 20 -0.383347177576E+03 -0.47646E-02 -0.11783E-03 327 0.811E-02 0.129E-01
DAV: 21 -0.383351592640E+03 -0.44151E-02 -0.64905E-04 291 0.411E-02 0.528E-02
DAV: 22 -0.383360149879E+03 -0.85572E-02 -0.72783E-04 300 0.536E-02 0.339E-02
DAV: 23 -0.383361444525E+03 -0.12946E-02 -0.91999E-05 354 0.233E-02 0.270E-02
DAV: 24 -0.383362995710E+03 -0.15512E-02 -0.68365E-05 309 0.179E-02 0.147E-02
DAV: 25 -0.383364789181E+03 -0.17935E-02 -0.87564E-05 291 0.166E-02 0.263E-02
DAV: 26 -0.383365938913E+03 -0.11497E-02 -0.63771E-05 291 0.151E-02 0.115E-02
DAV: 27 -0.383366375614E+03 -0.43670E-03 -0.34824E-05 273 0.121E-02 0.109E-02
DAV: 28 -0.383366484873E+03 -0.10926E-03 -0.29702E-06 237 0.534E-03 0.709E-03
DAV: 29 -0.383366656185E+03 -0.17131E-03 -0.58550E-06 201 0.541E-03 0.500E-03
DAV: 30 -0.383366723148E+03 -0.66964E-04 -0.30529E-06 219 0.359E-03 0.210E-03
DAV: 31 -0.383366751248E+03 -0.28100E-04 -0.10128E-06 219 0.271E-03 0.166E-03
DAV: 32 -0.383366786953E+03 -0.35705E-04 -0.10022E-06 192 0.201E-03 0.764E-04
DAV: 33 -0.383366800404E+03 -0.13451E-04 -0.48966E-07 228 0.133E-03 0.443E-04
DAV: 34 -0.383366808772E+03 -0.83680E-05 -0.29694E-07 210 0.105E-03
1 F= -.38336681E+03 E0= -.38338399E+03 d E =0.515570E-01