iterations/neb0_image08_iter38_OSZICAR.out output for 39: 512-->524:: F2 + Si-NH-Si on surface slat V5 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.210367994333E+04 0.21037E+04 -0.11604E+05 1696 0.105E+03
DAV: 2 -0.141436590608E+03 -0.22451E+04 -0.21552E+04 2168 0.262E+02
DAV: 3 -0.466415935228E+03 -0.32498E+03 -0.32173E+03 1840 0.108E+02
DAV: 4 -0.478911351859E+03 -0.12495E+02 -0.12445E+02 1976 0.225E+01
DAV: 5 -0.479364535942E+03 -0.45318E+00 -0.45297E+00 2136 0.378E+00 0.428E+01
DAV: 6 -0.447673437203E+03 0.31691E+02 -0.14446E+02 1992 0.311E+01 0.271E+01
DAV: 7 -0.448046499368E+03 -0.37306E+00 -0.44044E+01 1856 0.112E+01 0.135E+01
DAV: 8 -0.447042971821E+03 0.10035E+01 -0.78692E+00 2424 0.800E+00 0.991E+00
DAV: 9 -0.446163614819E+03 0.87936E+00 -0.10144E+01 2032 0.454E+00 0.561E+00
DAV: 10 -0.446261854102E+03 -0.98239E-01 -0.92290E-01 2208 0.440E+00 0.642E+00
DAV: 11 -0.445672711485E+03 0.58914E+00 -0.20495E+00 1968 0.216E+00 0.108E+00
DAV: 12 -0.445699714363E+03 -0.27003E-01 -0.17675E-01 1920 0.104E+00 0.810E-01
DAV: 13 -0.445704677648E+03 -0.49633E-02 -0.44142E-02 1872 0.432E-01 0.622E-01
DAV: 14 -0.445709011338E+03 -0.43337E-02 -0.34166E-02 1984 0.366E-01 0.676E-01
DAV: 15 -0.445710727890E+03 -0.17166E-02 -0.26930E-02 1920 0.248E-01 0.463E-01
DAV: 16 -0.445711163029E+03 -0.43514E-03 -0.98909E-03 1936 0.148E-01 0.370E-01
DAV: 17 -0.445712128918E+03 -0.96589E-03 -0.47496E-03 1960 0.826E-02 0.140E-01
DAV: 18 -0.445714840369E+03 -0.27115E-02 -0.17394E-03 1840 0.715E-02 0.196E-01
DAV: 19 -0.445717251775E+03 -0.24114E-02 -0.23095E-03 2000 0.786E-02 0.261E-01
DAV: 20 -0.445718541141E+03 -0.12894E-02 -0.10265E-03 1944 0.777E-02 0.974E-02
DAV: 21 -0.445719410078E+03 -0.86894E-03 -0.40596E-04 1824 0.438E-02 0.525E-02
DAV: 22 -0.445719690539E+03 -0.28046E-03 -0.80937E-05 1808 0.230E-02 0.582E-02
DAV: 23 -0.445720009428E+03 -0.31889E-03 -0.13036E-04 1792 0.267E-02 0.165E-02
DAV: 24 -0.445720201449E+03 -0.19202E-03 -0.34752E-05 1632 0.168E-02 0.221E-02
DAV: 25 -0.445720272429E+03 -0.70980E-04 -0.15510E-05 1104 0.932E-03 0.731E-03
DAV: 26 -0.445720336643E+03 -0.64214E-04 -0.53733E-06 1104 0.521E-03 0.105E-02
DAV: 27 -0.445720371407E+03 -0.34764E-04 -0.36120E-06 1056 0.571E-03 0.324E-03
DAV: 28 -0.445720386781E+03 -0.15374E-04 -0.12837E-06 936 0.246E-03 0.231E-03
DAV: 29 -0.445720394626E+03 -0.78452E-05 -0.47321E-07 976 0.156E-03
1 F= -.44572039E+03 E0= -.44569547E+03 d E =-.747713E-01