iterations/neb0_image06_iter43_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 0.144363765444E+04 0.14436E+04 -0.44211E+04 330 0.697E+02
DAV: 2 0.235949543015E+03 -0.12077E+04 -0.11327E+04 408 0.163E+02
DAV: 3 -0.361200571785E+03 -0.59715E+03 -0.59366E+03 354 0.115E+02
DAV: 4 -0.431233018154E+03 -0.70032E+02 -0.69768E+02 309 0.502E+01
DAV: 5 -0.432848374533E+03 -0.16154E+01 -0.16125E+01 336 0.782E+00 0.425E+01
DAV: 6 -0.387436358533E+03 0.45412E+02 -0.14835E+02 309 0.285E+01 0.207E+01
DAV: 7 -0.384013891197E+03 0.34225E+01 -0.12341E+01 336 0.778E+00 0.103E+01
DAV: 8 -0.382566774413E+03 0.14471E+01 -0.18811E+00 336 0.377E+00 0.417E+00
DAV: 9 -0.382009856293E+03 0.55692E+00 -0.71205E-01 318 0.193E+00 0.112E+00
DAV: 10 -0.381963667301E+03 0.46189E-01 -0.35332E-01 345 0.954E-01 0.858E-01
DAV: 11 -0.381923996951E+03 0.39670E-01 -0.70765E-02 336 0.519E-01 0.551E-01
DAV: 12 -0.381897924930E+03 0.26072E-01 -0.30278E-02 363 0.433E-01 0.326E-01
DAV: 13 -0.381889287467E+03 0.86375E-02 -0.40653E-02 318 0.512E-01 0.726E-01
DAV: 14 -0.381883261028E+03 0.60264E-02 -0.17730E-02 327 0.244E-01 0.372E-01
DAV: 15 -0.381886617756E+03 -0.33567E-02 -0.88919E-03 309 0.238E-01 0.234E-01
DAV: 16 -0.381895373827E+03 -0.87561E-02 -0.63597E-03 354 0.247E-01 0.189E-01
DAV: 17 -0.381907424578E+03 -0.12051E-01 -0.55331E-03 318 0.242E-01 0.168E-01
DAV: 18 -0.381914376316E+03 -0.69517E-02 -0.46464E-03 309 0.136E-01 0.624E-02
DAV: 19 -0.381923326984E+03 -0.89507E-02 -0.99415E-04 309 0.818E-02 0.543E-02
DAV: 20 -0.381926824910E+03 -0.34979E-02 -0.20341E-04 327 0.378E-02 0.380E-02
DAV: 21 -0.381931839055E+03 -0.50141E-02 -0.27791E-04 300 0.406E-02 0.280E-02
DAV: 22 -0.381936644548E+03 -0.48055E-02 -0.31645E-04 309 0.351E-02 0.181E-02
DAV: 23 -0.381937537277E+03 -0.89273E-03 -0.48349E-05 318 0.176E-02 0.157E-02
DAV: 24 -0.381938492311E+03 -0.95503E-03 -0.31301E-05 264 0.123E-02 0.568E-03
DAV: 25 -0.381939393916E+03 -0.90161E-03 -0.41245E-05 282 0.109E-02 0.423E-03
DAV: 26 -0.381939684148E+03 -0.29023E-03 -0.83819E-06 237 0.632E-03 0.398E-03
DAV: 27 -0.381939873160E+03 -0.18901E-03 -0.80011E-06 201 0.523E-03 0.310E-03
DAV: 28 -0.381939939784E+03 -0.66625E-04 -0.28112E-06 219 0.324E-03 0.257E-03
DAV: 29 -0.381939972999E+03 -0.33215E-04 -0.18088E-06 219 0.308E-03 0.126E-03
DAV: 30 -0.381939998602E+03 -0.25603E-04 -0.15809E-06 210 0.298E-03 0.153E-03
DAV: 31 -0.381940002734E+03 -0.41315E-05 -0.38554E-07 228 0.143E-03
1 F= -.38194000E+03 E0= -.38195313E+03 d E =0.393962E-01