./iterations/neb0_image04_iter9_OSZICAR.out output for 3: 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.144983698504E+04 0.14498E+04 -0.44203E+04 330 0.697E+02
DAV: 2 0.225451950245E+03 -0.12244E+04 -0.11497E+04 435 0.163E+02
DAV: 3 -0.362392580700E+03 -0.58784E+03 -0.58453E+03 345 0.114E+02
DAV: 4 -0.433339735374E+03 -0.70947E+02 -0.70687E+02 318 0.509E+01
DAV: 5 -0.434927621423E+03 -0.15879E+01 -0.15854E+01 318 0.785E+00 0.426E+01
DAV: 6 -0.389023053934E+03 0.45905E+02 -0.14770E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385567380281E+03 0.34557E+01 -0.13433E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384100326931E+03 0.14671E+01 -0.20584E+00 327 0.384E+00 0.432E+00
DAV: 9 -0.383555048108E+03 0.54528E+00 -0.13667E+00 327 0.236E+00 0.130E+00
DAV: 10 -0.383502270693E+03 0.52777E-01 -0.42476E-01 336 0.115E+00 0.993E-01
DAV: 11 -0.383462331765E+03 0.39939E-01 -0.11040E-01 354 0.656E-01 0.751E-01
DAV: 12 -0.383452757433E+03 0.95743E-02 -0.11358E-01 354 0.708E-01 0.936E-01
DAV: 13 -0.383432578488E+03 0.20179E-01 -0.13226E-01 363 0.510E-01 0.626E-01
DAV: 14 -0.383420950480E+03 0.11628E-01 -0.52787E-02 327 0.393E-01 0.330E-01
DAV: 15 -0.383419015344E+03 0.19351E-02 -0.25146E-02 309 0.394E-01 0.369E-01
DAV: 16 -0.383422175291E+03 -0.31599E-02 -0.18827E-02 336 0.270E-01 0.302E-01
DAV: 17 -0.383427219916E+03 -0.50446E-02 -0.25541E-03 282 0.165E-01 0.143E-01
DAV: 18 -0.383439087818E+03 -0.11868E-01 -0.50358E-03 336 0.239E-01 0.208E-01
DAV: 19 -0.383444648639E+03 -0.55608E-02 -0.35341E-03 354 0.175E-01 0.112E-01
DAV: 20 -0.383449913003E+03 -0.52644E-02 -0.14644E-03 327 0.925E-02 0.130E-01
DAV: 21 -0.383451641733E+03 -0.17287E-02 -0.96080E-04 345 0.584E-02 0.955E-02
DAV: 22 -0.383456980851E+03 -0.53391E-02 -0.45893E-04 300 0.591E-02 0.726E-02
DAV: 23 -0.383460591064E+03 -0.36102E-02 -0.45083E-04 336 0.415E-02 0.432E-02
DAV: 24 -0.383463674656E+03 -0.30836E-02 -0.18101E-04 300 0.335E-02 0.344E-02
DAV: 25 -0.383466718476E+03 -0.30438E-02 -0.21573E-04 318 0.279E-02 0.398E-02
DAV: 26 -0.383467266789E+03 -0.54831E-03 -0.19932E-05 264 0.118E-02 0.205E-02
DAV: 27 -0.383468099952E+03 -0.83316E-03 -0.52178E-05 309 0.176E-02 0.174E-02
DAV: 28 -0.383468477394E+03 -0.37744E-03 -0.13465E-05 255 0.111E-02 0.793E-03
DAV: 29 -0.383468730523E+03 -0.25313E-03 -0.12419E-05 246 0.660E-03 0.392E-03
DAV: 30 -0.383468846009E+03 -0.11549E-03 -0.37388E-06 237 0.445E-03 0.646E-03
DAV: 31 -0.383468940100E+03 -0.94090E-04 -0.29550E-06 210 0.383E-03 0.265E-03
DAV: 32 -0.383468995669E+03 -0.55570E-04 -0.21200E-06 219 0.256E-03 0.235E-03
DAV: 33 -0.383469022614E+03 -0.26945E-04 -0.99550E-07 228 0.226E-03 0.113E-03
DAV: 34 -0.383469042013E+03 -0.19399E-04 -0.93760E-07 210 0.173E-03 0.882E-04
DAV: 35 -0.383469045120E+03 -0.31066E-05 -0.28402E-07 237 0.115E-03
1 F= -.38346905E+03 E0= -.38348578E+03 d E =0.502075E-01