iterations/neb0_image05_iter3_OSZICAR.out output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.161946517772E+04 0.16195E+04 -0.42282E+04 306 0.697E+02
DAV: 2 0.300077968621E+03 -0.13194E+04 -0.12414E+04 420 0.168E+02
DAV: 3 -0.358325355383E+03 -0.65840E+03 -0.65485E+03 364 0.123E+02
DAV: 4 -0.433317073233E+03 -0.74992E+02 -0.74714E+02 308 0.528E+01
DAV: 5 -0.434984588437E+03 -0.16675E+01 -0.16648E+01 340 0.807E+00 0.426E+01
DAV: 6 -0.389003405804E+03 0.45981E+02 -0.14974E+02 316 0.286E+01 0.208E+01
DAV: 7 -0.385512840919E+03 0.34906E+01 -0.12630E+01 340 0.771E+00 0.104E+01
DAV: 8 -0.384083211700E+03 0.14296E+01 -0.26055E+00 332 0.389E+00 0.430E+00
DAV: 9 -0.383513583383E+03 0.56963E+00 -0.61629E-01 332 0.193E+00 0.104E+00
DAV: 10 -0.383458824678E+03 0.54759E-01 -0.29889E-01 332 0.112E+00 0.107E+00
DAV: 11 -0.383442503396E+03 0.16321E-01 -0.19751E-01 316 0.541E-01 0.711E-01
DAV: 12 -0.383428911664E+03 0.13592E-01 -0.25274E-02 316 0.340E-01 0.513E-01
DAV: 13 -0.383417952890E+03 0.10959E-01 -0.13433E-01 308 0.522E-01 0.700E-01
DAV: 14 -0.383410595078E+03 0.73578E-02 -0.47891E-02 324 0.284E-01 0.360E-01
DAV: 15 -0.383413333794E+03 -0.27387E-02 -0.74260E-03 300 0.254E-01 0.200E-01
DAV: 16 -0.383421393402E+03 -0.80596E-02 -0.36217E-03 324 0.183E-01 0.141E-01
DAV: 17 -0.383435918476E+03 -0.14525E-01 -0.51242E-03 276 0.195E-01 0.147E-01
DAV: 18 -0.383442840160E+03 -0.69217E-02 -0.39744E-03 356 0.184E-01 0.108E-01
DAV: 19 -0.383448209402E+03 -0.53692E-02 -0.16652E-03 348 0.111E-01 0.109E-01
DAV: 20 -0.383449578430E+03 -0.13690E-02 -0.79426E-04 316 0.518E-02 0.738E-02
DAV: 21 -0.383454894008E+03 -0.53156E-02 -0.46089E-04 292 0.512E-02 0.439E-02
DAV: 22 -0.383461482047E+03 -0.65880E-02 -0.11034E-03 300 0.714E-02 0.518E-02
DAV: 23 -0.383462172013E+03 -0.68997E-03 -0.19861E-04 324 0.304E-02 0.342E-02
DAV: 24 -0.383464632769E+03 -0.24608E-02 -0.13579E-04 300 0.228E-02 0.314E-02
DAV: 25 -0.383466409596E+03 -0.17768E-02 -0.22383E-04 308 0.237E-02 0.193E-02
DAV: 26 -0.383466961760E+03 -0.55216E-03 -0.27510E-05 268 0.139E-02 0.118E-02
DAV: 27 -0.383467681545E+03 -0.71979E-03 -0.36371E-05 268 0.117E-02 0.775E-03
DAV: 28 -0.383468046914E+03 -0.36537E-03 -0.17188E-05 228 0.758E-03 0.638E-03
DAV: 29 -0.383468230055E+03 -0.18314E-03 -0.11244E-05 228 0.668E-03 0.547E-03
DAV: 30 -0.383468318928E+03 -0.88874E-04 -0.43744E-06 228 0.418E-03 0.396E-03
DAV: 31 -0.383468378074E+03 -0.59146E-04 -0.37459E-06 212 0.381E-03 0.254E-03
DAV: 32 -0.383468402639E+03 -0.24565E-04 -0.18750E-06 220 0.277E-03 0.143E-03
DAV: 33 -0.383468418538E+03 -0.15899E-04 -0.77226E-07 220 0.161E-03 0.111E-03
DAV: 34 -0.383468432065E+03 -0.13527E-04 -0.53020E-07 228 0.136E-03 0.104E-03
DAV: 35 -0.383468439763E+03 -0.76980E-05 -0.39618E-07 220 0.111E-03
1 F= -.38346844E+03 E0= -.38348568E+03 d E =0.517262E-01