iterations/neb0_image03_iter73_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 0.145003291041E+04 0.14500E+04 -0.44202E+04 330 0.697E+02
DAV: 2 0.225015592893E+03 -0.12250E+04 -0.11493E+04 435 0.163E+02
DAV: 3 -0.362498347382E+03 -0.58751E+03 -0.58387E+03 345 0.114E+02
DAV: 4 -0.433523413827E+03 -0.71025E+02 -0.70775E+02 318 0.509E+01
DAV: 5 -0.435110108776E+03 -0.15867E+01 -0.15843E+01 318 0.784E+00 0.427E+01
DAV: 6 -0.388983526619E+03 0.46127E+02 -0.14841E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385501505108E+03 0.34820E+01 -0.13465E+01 345 0.781E+00 0.104E+01
DAV: 8 -0.384028454983E+03 0.14731E+01 -0.21518E+00 336 0.382E+00 0.432E+00
DAV: 9 -0.383474035900E+03 0.55442E+00 -0.12504E+00 327 0.226E+00 0.124E+00
DAV: 10 -0.383413357741E+03 0.60678E-01 -0.33598E-01 318 0.110E+00 0.103E+00
DAV: 11 -0.383386064789E+03 0.27293E-01 -0.19579E-01 345 0.619E-01 0.864E-01
DAV: 12 -0.383373797212E+03 0.12268E-01 -0.26810E-01 345 0.710E-01 0.862E-01
DAV: 13 -0.383352713389E+03 0.21084E-01 -0.10563E-01 363 0.501E-01 0.596E-01
DAV: 14 -0.383341307432E+03 0.11406E-01 -0.26033E-02 327 0.367E-01 0.406E-01
DAV: 15 -0.383339916104E+03 0.13913E-02 -0.18482E-02 327 0.420E-01 0.369E-01
DAV: 16 -0.383342858845E+03 -0.29427E-02 -0.16179E-02 336 0.266E-01 0.272E-01
DAV: 17 -0.383349000812E+03 -0.61420E-02 -0.28590E-03 282 0.165E-01 0.120E-01
DAV: 18 -0.383360297874E+03 -0.11297E-01 -0.29167E-03 318 0.164E-01 0.978E-02
DAV: 19 -0.383371712217E+03 -0.11414E-01 -0.18150E-03 327 0.137E-01 0.644E-02
DAV: 20 -0.383379603139E+03 -0.78909E-02 -0.80208E-04 309 0.761E-02 0.700E-02
DAV: 21 -0.383382613930E+03 -0.30108E-02 -0.14875E-04 363 0.307E-02 0.363E-02
DAV: 22 -0.383387206771E+03 -0.45928E-02 -0.28208E-04 291 0.374E-02 0.179E-02
DAV: 23 -0.383389513999E+03 -0.23072E-02 -0.12779E-04 327 0.238E-02 0.232E-02
DAV: 24 -0.383390515298E+03 -0.10013E-02 -0.54189E-05 309 0.217E-02 0.219E-02
DAV: 25 -0.383391318479E+03 -0.80318E-03 -0.34763E-05 273 0.137E-02 0.147E-02
DAV: 26 -0.383391754909E+03 -0.43643E-03 -0.22658E-05 273 0.111E-02 0.764E-03
DAV: 27 -0.383392042474E+03 -0.28757E-03 -0.90893E-06 210 0.647E-03 0.511E-03
DAV: 28 -0.383392150840E+03 -0.10837E-03 -0.39859E-06 237 0.478E-03 0.168E-03
DAV: 29 -0.383392242794E+03 -0.91954E-04 -0.31952E-06 201 0.385E-03 0.236E-03
DAV: 30 -0.383392280166E+03 -0.37372E-04 -0.14391E-06 228 0.263E-03 0.115E-03
DAV: 31 -0.383392304824E+03 -0.24658E-04 -0.14992E-06 201 0.316E-03 0.139E-03
DAV: 32 -0.383392312847E+03 -0.80234E-05 -0.48487E-07 228 0.164E-03
1 F= -.38339231E+03 E0= -.38340489E+03 d E =0.377224E-01