iterations/neb0_image07_iter2_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 0.150707605505E+04 0.15071E+04 -0.43558E+04 322 0.697E+02
DAV: 2 0.249461290017E+03 -0.12576E+04 -0.11827E+04 428 0.164E+02
DAV: 3 -0.355575341405E+03 -0.60504E+03 -0.60106E+03 348 0.117E+02
DAV: 4 -0.432728822741E+03 -0.77153E+02 -0.76825E+02 316 0.531E+01
DAV: 5 -0.434538973558E+03 -0.18102E+01 -0.18072E+01 340 0.817E+00 0.426E+01
DAV: 6 -0.388653725388E+03 0.45885E+02 -0.14892E+02 324 0.286E+01 0.208E+01
DAV: 7 -0.385151988602E+03 0.35017E+01 -0.12609E+01 332 0.772E+00 0.104E+01
DAV: 8 -0.383738765732E+03 0.14132E+01 -0.22530E+00 332 0.382E+00 0.427E+00
DAV: 9 -0.383177345543E+03 0.56142E+00 -0.76685E-01 324 0.201E+00 0.998E-01
DAV: 10 -0.383119203421E+03 0.58142E-01 -0.10174E-01 340 0.851E-01 0.830E-01
DAV: 11 -0.383116738028E+03 0.24654E-02 -0.35858E-01 380 0.735E-01 0.109E+00
DAV: 12 -0.383088055721E+03 0.28682E-01 -0.22887E-01 316 0.514E-01 0.744E-01
DAV: 13 -0.383081547491E+03 0.65082E-02 -0.61307E-02 348 0.282E-01 0.361E-01
DAV: 14 -0.383073552869E+03 0.79946E-02 -0.25630E-02 308 0.386E-01 0.334E-01
DAV: 15 -0.383075957341E+03 -0.24045E-02 -0.10671E-02 316 0.267E-01 0.141E-01
DAV: 16 -0.383086886318E+03 -0.10929E-01 -0.43681E-03 300 0.199E-01 0.214E-01
DAV: 17 -0.383100443943E+03 -0.13558E-01 -0.79288E-03 300 0.201E-01 0.183E-01
DAV: 18 -0.383108539231E+03 -0.80953E-02 -0.24186E-03 308 0.118E-01 0.122E-01
DAV: 19 -0.383115567582E+03 -0.70284E-02 -0.67450E-04 308 0.601E-02 0.504E-02
DAV: 20 -0.383124318519E+03 -0.87509E-02 -0.92062E-04 332 0.613E-02 0.367E-02
DAV: 21 -0.383126047231E+03 -0.17287E-02 -0.74443E-05 324 0.238E-02 0.410E-02
DAV: 22 -0.383128603136E+03 -0.25559E-02 -0.13898E-04 308 0.260E-02 0.203E-02
DAV: 23 -0.383131003358E+03 -0.24002E-02 -0.14171E-04 308 0.215E-02 0.972E-03
DAV: 24 -0.383131911870E+03 -0.90851E-03 -0.49669E-05 284 0.155E-02 0.645E-03
DAV: 25 -0.383132337964E+03 -0.42609E-03 -0.13736E-05 228 0.876E-03 0.615E-03
DAV: 26 -0.383132518601E+03 -0.18064E-03 -0.74010E-06 220 0.552E-03 0.417E-03
DAV: 27 -0.383132669545E+03 -0.15094E-03 -0.72426E-06 220 0.584E-03 0.358E-03
DAV: 28 -0.383132716619E+03 -0.47074E-04 -0.26400E-06 228 0.359E-03 0.156E-03
DAV: 29 -0.383132748836E+03 -0.32217E-04 -0.13176E-06 212 0.215E-03 0.132E-03
DAV: 30 -0.383132794505E+03 -0.45669E-04 -0.19513E-06 220 0.247E-03 0.957E-04
DAV: 31 -0.383132802880E+03 -0.83752E-05 -0.52920E-07 228 0.131E-03
1 F= -.38313280E+03 E0= -.38314564E+03 d E =0.385128E-01