iterations/neb0_image05_iter27_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 0.161938030530E+04 0.16194E+04 -0.42283E+04 306 0.697E+02
DAV: 2 0.299887379334E+03 -0.13195E+04 -0.12414E+04 420 0.168E+02
DAV: 3 -0.358449235723E+03 -0.65834E+03 -0.65485E+03 364 0.123E+02
DAV: 4 -0.433346092283E+03 -0.74897E+02 -0.74620E+02 308 0.527E+01
DAV: 5 -0.435008049658E+03 -0.16620E+01 -0.16593E+01 332 0.806E+00 0.426E+01
DAV: 6 -0.389010787457E+03 0.45997E+02 -0.14964E+02 324 0.286E+01 0.208E+01
DAV: 7 -0.385522482066E+03 0.34883E+01 -0.12767E+01 340 0.772E+00 0.104E+01
DAV: 8 -0.384101900049E+03 0.14206E+01 -0.27634E+00 332 0.391E+00 0.433E+00
DAV: 9 -0.383523290865E+03 0.57861E+00 -0.62846E-01 332 0.198E+00 0.988E-01
DAV: 10 -0.383464710023E+03 0.58581E-01 -0.18505E-01 332 0.102E+00 0.836E-01
DAV: 11 -0.383456761868E+03 0.79482E-02 -0.83647E-02 356 0.501E-01 0.705E-01
DAV: 12 -0.383435608928E+03 0.21153E-01 -0.27036E-02 308 0.348E-01 0.399E-01
DAV: 13 -0.383429411058E+03 0.61979E-02 -0.44563E-02 316 0.442E-01 0.480E-01
DAV: 14 -0.383423041875E+03 0.63692E-02 -0.24013E-02 308 0.346E-01 0.198E-01
DAV: 15 -0.383430921114E+03 -0.78792E-02 -0.10327E-02 308 0.288E-01 0.210E-01
DAV: 16 -0.383438643489E+03 -0.77224E-02 -0.37234E-03 332 0.192E-01 0.110E-01
DAV: 17 -0.383448513456E+03 -0.98700E-02 -0.20165E-03 284 0.114E-01 0.846E-02
DAV: 18 -0.383459419913E+03 -0.10906E-01 -0.18149E-03 300 0.102E-01 0.568E-02
DAV: 19 -0.383466836541E+03 -0.74166E-02 -0.73715E-04 324 0.697E-02 0.377E-02
DAV: 20 -0.383474364209E+03 -0.75277E-02 -0.48245E-04 308 0.532E-02 0.256E-02
DAV: 21 -0.383477704175E+03 -0.33400E-02 -0.14070E-04 324 0.268E-02 0.168E-02
DAV: 22 -0.383480179689E+03 -0.24755E-02 -0.14702E-04 316 0.270E-02 0.997E-03
DAV: 23 -0.383481817402E+03 -0.16377E-02 -0.82261E-05 300 0.170E-02 0.102E-02
DAV: 24 -0.383482395168E+03 -0.57777E-03 -0.32662E-05 252 0.114E-02 0.688E-03
DAV: 25 -0.383482709246E+03 -0.31408E-03 -0.16301E-05 212 0.768E-03 0.419E-03
DAV: 26 -0.383482873416E+03 -0.16417E-03 -0.63428E-06 220 0.476E-03 0.295E-03
DAV: 27 -0.383482955608E+03 -0.82192E-04 -0.28908E-06 212 0.386E-03 0.261E-03
DAV: 28 -0.383483024663E+03 -0.69055E-04 -0.36657E-06 204 0.443E-03 0.183E-03
DAV: 29 -0.383483045890E+03 -0.21228E-04 -0.12102E-06 228 0.241E-03 0.118E-03
DAV: 30 -0.383483057045E+03 -0.11155E-04 -0.79199E-07 228 0.224E-03 0.665E-04
DAV: 31 -0.383483066285E+03 -0.92400E-05 -0.33648E-07 212 0.137E-03
1 F= -.38348307E+03 E0= -.38349637E+03 d E =0.398987E-01