iterations/neb0_image04_iter4_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 0.161879708969E+04 0.16188E+04 -0.42280E+04 306 0.697E+02
DAV: 2 0.297901556832E+03 -0.13209E+04 -0.12418E+04 420 0.168E+02
DAV: 3 -0.354111869819E+03 -0.65201E+03 -0.64845E+03 356 0.123E+02
DAV: 4 -0.433237537720E+03 -0.79126E+02 -0.78785E+02 316 0.540E+01
DAV: 5 -0.435083269531E+03 -0.18457E+01 -0.18434E+01 340 0.830E+00 0.427E+01
DAV: 6 -0.389065142119E+03 0.46018E+02 -0.15046E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385567608726E+03 0.34975E+01 -0.12396E+01 340 0.768E+00 0.104E+01
DAV: 8 -0.384138889445E+03 0.14287E+01 -0.27428E+00 332 0.389E+00 0.432E+00
DAV: 9 -0.383564354517E+03 0.57453E+00 -0.65950E-01 324 0.199E+00 0.108E+00
DAV: 10 -0.383516034623E+03 0.48320E-01 -0.34550E-01 332 0.101E+00 0.787E-01
DAV: 11 -0.383490927079E+03 0.25108E-01 -0.33481E-02 324 0.478E-01 0.632E-01
DAV: 12 -0.383478806197E+03 0.12121E-01 -0.14384E-01 364 0.612E-01 0.925E-01
DAV: 13 -0.383460335857E+03 0.18470E-01 -0.15888E-01 316 0.441E-01 0.325E-01
DAV: 14 -0.383461004447E+03 -0.66859E-03 -0.14854E-02 316 0.264E-01 0.202E-01
DAV: 15 -0.383467037329E+03 -0.60329E-02 -0.74452E-03 316 0.272E-01 0.182E-01
DAV: 16 -0.383480717394E+03 -0.13680E-01 -0.62771E-03 332 0.215E-01 0.142E-01
DAV: 17 -0.383486611690E+03 -0.58943E-02 -0.63136E-03 340 0.137E-01 0.188E-01
DAV: 18 -0.383494191240E+03 -0.75795E-02 -0.31631E-03 276 0.102E-01 0.740E-02
DAV: 19 -0.383501470430E+03 -0.72792E-02 -0.10288E-03 308 0.676E-02 0.456E-02
DAV: 20 -0.383506730082E+03 -0.52597E-02 -0.30319E-04 308 0.448E-02 0.494E-02
DAV: 21 -0.383513780263E+03 -0.70502E-02 -0.51406E-04 340 0.523E-02 0.243E-02
DAV: 22 -0.383515603209E+03 -0.18229E-02 -0.76665E-05 324 0.220E-02 0.176E-02
DAV: 23 -0.383517492158E+03 -0.18889E-02 -0.10972E-04 308 0.228E-02 0.882E-03
DAV: 24 -0.383518956076E+03 -0.14639E-02 -0.69648E-05 300 0.168E-02 0.875E-03
DAV: 25 -0.383519578125E+03 -0.62205E-03 -0.22764E-05 252 0.908E-03 0.685E-03
DAV: 26 -0.383519884821E+03 -0.30670E-03 -0.20570E-05 252 0.105E-02 0.550E-03
DAV: 27 -0.383520008213E+03 -0.12339E-03 -0.45033E-06 236 0.503E-03 0.387E-03
DAV: 28 -0.383520087596E+03 -0.79383E-04 -0.33356E-06 196 0.462E-03 0.213E-03
DAV: 29 -0.383520134206E+03 -0.46610E-04 -0.21997E-06 220 0.350E-03 0.199E-03
DAV: 30 -0.383520162639E+03 -0.28433E-04 -0.10024E-06 204 0.225E-03 0.108E-03
DAV: 31 -0.383520175064E+03 -0.12425E-04 -0.81470E-07 228 0.221E-03 0.765E-04
DAV: 32 -0.383520179780E+03 -0.47156E-05 -0.23757E-07 228 0.125E-03
1 F= -.38352018E+03 E0= -.38353391E+03 d E =0.411758E-01