iterations/neb0_image01_iter28_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 0.161669752924E+04 0.16167E+04 -0.42275E+04 306 0.697E+02
DAV: 2 0.296212669219E+03 -0.13205E+04 -0.12433E+04 420 0.168E+02
DAV: 3 -0.358051692771E+03 -0.65426E+03 -0.65070E+03 364 0.123E+02
DAV: 4 -0.433517350562E+03 -0.75466E+02 -0.75162E+02 308 0.519E+01
DAV: 5 -0.435229239149E+03 -0.17119E+01 -0.17090E+01 332 0.797E+00 0.427E+01
DAV: 6 -0.389147795701E+03 0.46081E+02 -0.15047E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385619339871E+03 0.35285E+01 -0.12381E+01 340 0.767E+00 0.104E+01
DAV: 8 -0.384164015661E+03 0.14553E+01 -0.24261E+00 332 0.381E+00 0.430E+00
DAV: 9 -0.383596037195E+03 0.56798E+00 -0.69254E-01 324 0.196E+00 0.102E+00
DAV: 10 -0.383531568745E+03 0.64468E-01 -0.13181E-01 348 0.942E-01 0.728E-01
DAV: 11 -0.383507799262E+03 0.23769E-01 -0.24870E-02 332 0.436E-01 0.498E-01
DAV: 12 -0.383495357136E+03 0.12442E-01 -0.66605E-02 348 0.411E-01 0.628E-01
DAV: 13 -0.383488263963E+03 0.70932E-02 -0.85845E-02 356 0.346E-01 0.378E-01
DAV: 14 -0.383487327063E+03 0.93690E-03 -0.52468E-02 332 0.359E-01 0.433E-01
DAV: 15 -0.383488774102E+03 -0.14470E-02 -0.17554E-02 324 0.205E-01 0.196E-01
DAV: 16 -0.383499420509E+03 -0.10646E-01 -0.61429E-03 292 0.173E-01 0.169E-01
DAV: 17 -0.383512392651E+03 -0.12972E-01 -0.29588E-03 308 0.162E-01 0.970E-02
DAV: 18 -0.383522456959E+03 -0.10064E-01 -0.19896E-03 308 0.112E-01 0.793E-02
DAV: 19 -0.383530115546E+03 -0.76586E-02 -0.69782E-04 340 0.619E-02 0.353E-02
DAV: 20 -0.383538341548E+03 -0.82260E-02 -0.48126E-04 308 0.452E-02 0.370E-02
DAV: 21 -0.383541566595E+03 -0.32250E-02 -0.12508E-04 324 0.235E-02 0.202E-02
DAV: 22 -0.383544915074E+03 -0.33485E-02 -0.22259E-04 300 0.281E-02 0.897E-03
DAV: 23 -0.383545874971E+03 -0.95990E-03 -0.40922E-05 284 0.128E-02 0.105E-02
DAV: 24 -0.383546530494E+03 -0.65552E-03 -0.31987E-05 268 0.129E-02 0.698E-03
DAV: 25 -0.383546726069E+03 -0.19558E-03 -0.61001E-06 236 0.568E-03 0.368E-03
DAV: 26 -0.383546907933E+03 -0.18186E-03 -0.80096E-06 212 0.660E-03 0.228E-03
DAV: 27 -0.383546987400E+03 -0.79466E-04 -0.23910E-06 228 0.360E-03 0.179E-03
DAV: 28 -0.383547028286E+03 -0.40886E-04 -0.17800E-06 204 0.370E-03 0.161E-03
DAV: 29 -0.383547072687E+03 -0.44401E-04 -0.16632E-06 204 0.245E-03 0.123E-03
DAV: 30 -0.383547081050E+03 -0.83629E-05 -0.50188E-07 228 0.173E-03
1 F= -.38354708E+03 E0= -.38356024E+03 d E =0.394754E-01