iterations/neb0_image02_iter23_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 0.161789661480E+04 0.16179E+04 -0.42272E+04 306 0.697E+02
DAV: 2 0.296742577858E+03 -0.13212E+04 -0.12439E+04 420 0.168E+02
DAV: 3 -0.358007509233E+03 -0.65475E+03 -0.65104E+03 364 0.123E+02
DAV: 4 -0.433482981131E+03 -0.75475E+02 -0.75161E+02 316 0.520E+01
DAV: 5 -0.435194937493E+03 -0.17120E+01 -0.17093E+01 332 0.798E+00 0.427E+01
DAV: 6 -0.389126595595E+03 0.46068E+02 -0.15034E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385607922460E+03 0.35187E+01 -0.12455E+01 340 0.769E+00 0.104E+01
DAV: 8 -0.384162067970E+03 0.14459E+01 -0.24566E+00 332 0.382E+00 0.432E+00
DAV: 9 -0.383609638462E+03 0.55243E+00 -0.10380E+00 324 0.206E+00 0.111E+00
DAV: 10 -0.383533088461E+03 0.76550E-01 -0.13773E-01 332 0.948E-01 0.769E-01
DAV: 11 -0.383508341312E+03 0.24747E-01 -0.36876E-02 316 0.486E-01 0.513E-01
DAV: 12 -0.383488630167E+03 0.19711E-01 -0.33226E-02 308 0.453E-01 0.352E-01
DAV: 13 -0.383485657337E+03 0.29728E-02 -0.41489E-02 324 0.417E-01 0.516E-01
DAV: 14 -0.383484046056E+03 0.16113E-02 -0.16906E-02 316 0.234E-01 0.208E-01
DAV: 15 -0.383488267271E+03 -0.42212E-02 -0.43860E-03 292 0.167E-01 0.191E-01
DAV: 16 -0.383496986155E+03 -0.87189E-02 -0.54815E-03 308 0.160E-01 0.270E-01
DAV: 17 -0.383503869224E+03 -0.68831E-02 -0.82693E-03 292 0.164E-01 0.192E-01
DAV: 18 -0.383515842069E+03 -0.11973E-01 -0.36978E-03 292 0.141E-01 0.619E-02
DAV: 19 -0.383524949788E+03 -0.91077E-02 -0.16846E-03 316 0.969E-02 0.527E-02
DAV: 20 -0.383530922739E+03 -0.59730E-02 -0.53063E-04 308 0.497E-02 0.406E-02
DAV: 21 -0.383534210754E+03 -0.32880E-02 -0.16842E-04 324 0.291E-02 0.371E-02
DAV: 22 -0.383538039025E+03 -0.38283E-02 -0.16491E-04 300 0.256E-02 0.167E-02
DAV: 23 -0.383540973482E+03 -0.29345E-02 -0.16479E-04 300 0.224E-02 0.139E-02
DAV: 24 -0.383541910587E+03 -0.93710E-03 -0.37352E-05 284 0.116E-02 0.554E-03
DAV: 25 -0.383542528977E+03 -0.61839E-03 -0.23431E-05 244 0.881E-03 0.537E-03
DAV: 26 -0.383542798809E+03 -0.26983E-03 -0.96604E-06 228 0.574E-03 0.301E-03
DAV: 27 -0.383542923269E+03 -0.12446E-03 -0.47837E-06 220 0.397E-03 0.344E-03
DAV: 28 -0.383542985525E+03 -0.62256E-04 -0.22920E-06 228 0.285E-03 0.110E-03
DAV: 29 -0.383543038096E+03 -0.52571E-04 -0.20551E-06 204 0.251E-03 0.868E-04
DAV: 30 -0.383543057546E+03 -0.19450E-04 -0.98422E-07 220 0.161E-03 0.501E-04
DAV: 31 -0.383543065455E+03 -0.79090E-05 -0.36508E-07 228 0.114E-03
1 F= -.38354307E+03 E0= -.38356028E+03 d E =0.516533E-01