iterations/neb0_image03_iter13_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 0.144883686658E+04 0.14488E+04 -0.44195E+04 330 0.697E+02
DAV: 2 0.224747181483E+03 -0.12241E+04 -0.11483E+04 435 0.163E+02
DAV: 3 -0.362454027432E+03 -0.58720E+03 -0.58356E+03 345 0.114E+02
DAV: 4 -0.433384335661E+03 -0.70930E+02 -0.70699E+02 309 0.508E+01
DAV: 5 -0.434975028186E+03 -0.15907E+01 -0.15880E+01 318 0.783E+00 0.426E+01
DAV: 6 -0.389048747655E+03 0.45926E+02 -0.14792E+02 318 0.285E+01 0.208E+01
DAV: 7 -0.385602656455E+03 0.34461E+01 -0.13633E+01 345 0.781E+00 0.104E+01
DAV: 8 -0.384128452933E+03 0.14742E+01 -0.20074E+00 336 0.383E+00 0.431E+00
DAV: 9 -0.383581735739E+03 0.54672E+00 -0.12042E+00 327 0.233E+00 0.117E+00
DAV: 10 -0.383516301524E+03 0.65434E-01 -0.13307E-01 327 0.101E+00 0.933E-01
DAV: 11 -0.383491253852E+03 0.25048E-01 -0.14891E-01 327 0.876E-01 0.882E-01
DAV: 12 -0.383463865828E+03 0.27388E-01 -0.42144E-02 327 0.484E-01 0.455E-01
DAV: 13 -0.383453259401E+03 0.10606E-01 -0.21905E-02 336 0.393E-01 0.534E-01
DAV: 14 -0.383447583427E+03 0.56760E-02 -0.24328E-02 372 0.336E-01 0.327E-01
DAV: 15 -0.383447210930E+03 0.37250E-03 -0.35241E-02 309 0.370E-01 0.303E-01
DAV: 16 -0.383452138258E+03 -0.49273E-02 -0.56776E-03 327 0.241E-01 0.156E-01
DAV: 17 -0.383457673569E+03 -0.55353E-02 -0.25097E-03 282 0.133E-01 0.144E-01
DAV: 18 -0.383469058203E+03 -0.11385E-01 -0.30733E-03 291 0.160E-01 0.112E-01
DAV: 19 -0.383477520244E+03 -0.84620E-02 -0.27358E-03 327 0.128E-01 0.102E-01
DAV: 20 -0.383482617143E+03 -0.50969E-02 -0.12908E-03 327 0.921E-02 0.421E-02
DAV: 21 -0.383488076588E+03 -0.54594E-02 -0.39472E-04 327 0.529E-02 0.591E-02
DAV: 22 -0.383492309076E+03 -0.42325E-02 -0.20929E-04 318 0.343E-02 0.294E-02
DAV: 23 -0.383495941737E+03 -0.36327E-02 -0.25941E-04 318 0.324E-02 0.152E-02
DAV: 24 -0.383497424256E+03 -0.14825E-02 -0.57078E-05 309 0.147E-02 0.104E-02
DAV: 25 -0.383498418772E+03 -0.99452E-03 -0.37716E-05 282 0.108E-02 0.780E-03
DAV: 26 -0.383499075658E+03 -0.65689E-03 -0.31841E-05 273 0.110E-02 0.729E-03
DAV: 27 -0.383499232974E+03 -0.15732E-03 -0.39978E-06 237 0.528E-03 0.403E-03
DAV: 28 -0.383499335114E+03 -0.10214E-03 -0.37310E-06 210 0.465E-03 0.289E-03
DAV: 29 -0.383499387836E+03 -0.52722E-04 -0.15900E-06 228 0.312E-03 0.165E-03
DAV: 30 -0.383499436286E+03 -0.48451E-04 -0.15778E-06 192 0.296E-03 0.192E-03
DAV: 31 -0.383499461881E+03 -0.25595E-04 -0.10084E-06 219 0.190E-03 0.116E-03
DAV: 32 -0.383499469069E+03 -0.71878E-05 -0.32391E-07 228 0.134E-03
1 F= -.38349947E+03 E0= -.38351612E+03 d E =0.499652E-01