iterations/neb0_image03_iter36_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 0.145002156172E+04 0.14500E+04 -0.44207E+04 330 0.697E+02
DAV: 2 0.224539545995E+03 -0.12255E+04 -0.11489E+04 435 0.163E+02
DAV: 3 -0.362744469888E+03 -0.58728E+03 -0.58422E+03 345 0.114E+02
DAV: 4 -0.433386697367E+03 -0.70642E+02 -0.70399E+02 309 0.509E+01
DAV: 5 -0.434986183735E+03 -0.15995E+01 -0.15967E+01 327 0.784E+00 0.427E+01
DAV: 6 -0.388776320205E+03 0.46210E+02 -0.14888E+02 309 0.286E+01 0.209E+01
DAV: 7 -0.385303363205E+03 0.34730E+01 -0.13672E+01 345 0.780E+00 0.105E+01
DAV: 8 -0.383827968275E+03 0.14754E+01 -0.23002E+00 345 0.391E+00 0.439E+00
DAV: 9 -0.383236197947E+03 0.59177E+00 -0.61966E-01 336 0.208E+00 0.986E-01
DAV: 10 -0.383175692394E+03 0.60506E-01 -0.12139E-01 336 0.900E-01 0.736E-01
DAV: 11 -0.383153613413E+03 0.22079E-01 -0.41586E-02 327 0.480E-01 0.770E-01
DAV: 12 -0.383140951169E+03 0.12662E-01 -0.22425E-02 345 0.371E-01 0.798E-01
DAV: 13 -0.383124319239E+03 0.16632E-01 -0.82146E-02 318 0.414E-01 0.462E-01
DAV: 14 -0.383121097338E+03 0.32219E-02 -0.10901E-02 345 0.322E-01 0.305E-01
DAV: 15 -0.383124870096E+03 -0.37728E-02 -0.79101E-03 318 0.278E-01 0.243E-01
DAV: 16 -0.383130182219E+03 -0.53121E-02 -0.33003E-03 336 0.195E-01 0.147E-01
DAV: 17 -0.383138798381E+03 -0.86162E-02 -0.13959E-03 282 0.147E-01 0.107E-01
DAV: 18 -0.383151337446E+03 -0.12539E-01 -0.42040E-03 300 0.181E-01 0.602E-02
DAV: 19 -0.383157898089E+03 -0.65606E-02 -0.12114E-03 327 0.953E-02 0.516E-02
DAV: 20 -0.383161629229E+03 -0.37311E-02 -0.19489E-04 345 0.358E-02 0.397E-02
DAV: 21 -0.383169971967E+03 -0.83427E-02 -0.57656E-04 300 0.475E-02 0.212E-02
DAV: 22 -0.383173273498E+03 -0.33015E-02 -0.15709E-04 327 0.247E-02 0.183E-02
DAV: 23 -0.383175074718E+03 -0.18012E-02 -0.83032E-05 300 0.184E-02 0.104E-02
DAV: 24 -0.383176048326E+03 -0.97361E-03 -0.27624E-05 264 0.108E-02 0.649E-03
DAV: 25 -0.383176802973E+03 -0.75465E-03 -0.31776E-05 264 0.100E-02 0.552E-03
DAV: 26 -0.383177072977E+03 -0.27000E-03 -0.63483E-06 237 0.625E-03 0.297E-03
DAV: 27 -0.383177227120E+03 -0.15414E-03 -0.52279E-06 201 0.476E-03 0.205E-03
DAV: 28 -0.383177303607E+03 -0.76487E-04 -0.21907E-06 228 0.300E-03 0.104E-03
DAV: 29 -0.383177376318E+03 -0.72711E-04 -0.31706E-06 192 0.329E-03 0.107E-03
DAV: 30 -0.383177384320E+03 -0.80022E-05 -0.86560E-07 237 0.207E-03
1 F= -.38317738E+03 E0= -.38319402E+03 d E =0.499161E-01