iterations/neb0_image07_iter24_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 0.209887032187E+04 0.20989E+04 -0.11601E+05 1696 0.105E+03
DAV: 2 -0.138643850209E+03 -0.22375E+04 -0.21489E+04 2152 0.262E+02
DAV: 3 -0.464647719741E+03 -0.32600E+03 -0.32143E+03 1880 0.107E+02
DAV: 4 -0.477427988277E+03 -0.12780E+02 -0.12733E+02 1944 0.227E+01
DAV: 5 -0.477914554755E+03 -0.48657E+00 -0.48628E+00 2120 0.386E+00 0.428E+01
DAV: 6 -0.448089418143E+03 0.29825E+02 -0.14776E+02 2032 0.317E+01 0.271E+01
DAV: 7 -0.445609553843E+03 0.24799E+01 -0.24114E+01 1840 0.115E+01 0.123E+01
DAV: 8 -0.446205235679E+03 -0.59568E+00 -0.12152E+01 2192 0.665E+00 0.836E+00
DAV: 9 -0.445254364425E+03 0.95087E+00 -0.55093E+00 2120 0.455E+00 0.654E+00
DAV: 10 -0.445643374877E+03 -0.38901E+00 -0.63146E+00 2400 0.433E+00 0.496E+00
DAV: 11 -0.445095382251E+03 0.54799E+00 -0.50510E-01 1968 0.211E+00 0.253E+00
DAV: 12 -0.445054885550E+03 0.40497E-01 -0.44105E-01 2000 0.133E+00 0.140E+00
DAV: 13 -0.445061373216E+03 -0.64877E-02 -0.51541E-02 1864 0.525E-01 0.623E-01
DAV: 14 -0.445095244275E+03 -0.33871E-01 -0.11401E-01 2096 0.407E-01 0.261E+00
DAV: 15 -0.445058003925E+03 0.37240E-01 -0.12065E-01 2320 0.454E-01 0.360E-01
DAV: 16 -0.445072576819E+03 -0.14573E-01 -0.22836E-02 1880 0.341E-01 0.867E-01
DAV: 17 -0.445068683801E+03 0.38930E-02 -0.35837E-03 1920 0.196E-01 0.389E-01
DAV: 18 -0.445068663705E+03 0.20096E-04 -0.39043E-03 1840 0.140E-01 0.135E-01
DAV: 19 -0.445069933639E+03 -0.12699E-02 -0.10753E-03 2000 0.757E-02 0.154E-01
DAV: 20 -0.445072039157E+03 -0.21055E-02 -0.54289E-04 1840 0.590E-02 0.429E-02
DAV: 21 -0.445073535960E+03 -0.14968E-02 -0.31539E-04 2000 0.445E-02 0.173E-01
DAV: 22 -0.445074344743E+03 -0.80878E-03 -0.23764E-04 1952 0.443E-02 0.333E-02
DAV: 23 -0.445075382234E+03 -0.10375E-02 -0.18735E-04 1800 0.309E-02 0.264E-02
DAV: 24 -0.445075908194E+03 -0.52596E-03 -0.12495E-04 1856 0.299E-02 0.291E-02
DAV: 25 -0.445075956022E+03 -0.47828E-04 -0.30183E-05 1392 0.132E-02 0.139E-02
DAV: 26 -0.445076006560E+03 -0.50537E-04 -0.11184E-05 1056 0.966E-03 0.119E-02
DAV: 27 -0.445076074036E+03 -0.67476E-04 -0.12630E-05 1144 0.934E-03 0.632E-03
DAV: 28 -0.445076108911E+03 -0.34875E-04 -0.47801E-06 1040 0.679E-03 0.432E-03
DAV: 29 -0.445076117971E+03 -0.90603E-05 -0.53350E-06 936 0.623E-03
1 F= -.44507612E+03 E0= -.44505990E+03 d E =-.486405E-01