iterations/neb0_image04_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 0.144932688948E+04 0.14493E+04 -0.44206E+04 330 0.697E+02
DAV: 2 0.224589031333E+03 -0.12247E+04 -0.11491E+04 435 0.163E+02
DAV: 3 -0.362773225490E+03 -0.58736E+03 -0.58420E+03 345 0.114E+02
DAV: 4 -0.433369819748E+03 -0.70597E+02 -0.70351E+02 309 0.508E+01
DAV: 5 -0.434963348387E+03 -0.15935E+01 -0.15909E+01 327 0.784E+00 0.426E+01
DAV: 6 -0.389039413752E+03 0.45924E+02 -0.14788E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385575717122E+03 0.34637E+01 -0.13354E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.384109007134E+03 0.14667E+01 -0.22073E+00 336 0.386E+00 0.432E+00
DAV: 9 -0.383564053754E+03 0.54495E+00 -0.13047E+00 327 0.231E+00 0.131E+00
DAV: 10 -0.383507313806E+03 0.56740E-01 -0.46589E-01 318 0.117E+00 0.101E+00
DAV: 11 -0.383468931139E+03 0.38383E-01 -0.11649E-01 336 0.648E-01 0.798E-01
DAV: 12 -0.383458007438E+03 0.10924E-01 -0.13211E-01 345 0.694E-01 0.109E+00
DAV: 13 -0.383438868565E+03 0.19139E-01 -0.23268E-01 354 0.545E-01 0.830E-01
DAV: 14 -0.383423768798E+03 0.15100E-01 -0.82308E-02 327 0.432E-01 0.368E-01
DAV: 15 -0.383423042384E+03 0.72641E-03 -0.17937E-02 318 0.311E-01 0.426E-01
DAV: 16 -0.383424084001E+03 -0.10416E-02 -0.12285E-02 318 0.305E-01 0.244E-01
DAV: 17 -0.383432205547E+03 -0.81215E-02 -0.65053E-03 300 0.205E-01 0.158E-01
DAV: 18 -0.383442792415E+03 -0.10587E-01 -0.22988E-03 300 0.154E-01 0.997E-02
DAV: 19 -0.383454259701E+03 -0.11467E-01 -0.21462E-03 327 0.124E-01 0.771E-02
DAV: 20 -0.383459507520E+03 -0.52478E-02 -0.61667E-04 327 0.734E-02 0.420E-02
DAV: 21 -0.383464261200E+03 -0.47537E-02 -0.20321E-04 300 0.344E-02 0.355E-02
DAV: 22 -0.383468525519E+03 -0.42643E-02 -0.16964E-04 300 0.256E-02 0.242E-02
DAV: 23 -0.383472299586E+03 -0.37741E-02 -0.28835E-04 300 0.310E-02 0.180E-02
DAV: 24 -0.383473002114E+03 -0.70253E-03 -0.22450E-05 264 0.118E-02 0.139E-02
DAV: 25 -0.383473752768E+03 -0.75065E-03 -0.31107E-05 273 0.110E-02 0.464E-03
DAV: 26 -0.383474304056E+03 -0.55129E-03 -0.21542E-05 255 0.859E-03 0.494E-03
DAV: 27 -0.383474500231E+03 -0.19617E-03 -0.55472E-06 237 0.445E-03 0.257E-03
DAV: 28 -0.383474605298E+03 -0.10507E-03 -0.31670E-06 210 0.397E-03 0.154E-03
DAV: 29 -0.383474674081E+03 -0.68783E-04 -0.24449E-06 219 0.303E-03 0.180E-03
DAV: 30 -0.383474705362E+03 -0.31280E-04 -0.11937E-06 219 0.239E-03 0.141E-03
DAV: 31 -0.383474725291E+03 -0.19929E-04 -0.11210E-06 210 0.202E-03 0.107E-03
DAV: 32 -0.383474727283E+03 -0.19917E-05 -0.27723E-07 237 0.123E-03
1 F= -.38347473E+03 E0= -.38349143E+03 d E =0.501046E-01