iterations/neb0_image09_iter20_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 0.209605203541E+04 0.20961E+04 -0.11611E+05 1704 0.105E+03
DAV: 2 -0.141964376952E+03 -0.22380E+04 -0.21493E+04 2144 0.262E+02
DAV: 3 -0.466326380795E+03 -0.32436E+03 -0.32096E+03 1840 0.108E+02
DAV: 4 -0.479073810910E+03 -0.12747E+02 -0.12696E+02 1968 0.227E+01
DAV: 5 -0.479529312419E+03 -0.45550E+00 -0.45526E+00 2120 0.378E+00 0.427E+01
DAV: 6 -0.447252128697E+03 0.32277E+02 -0.14297E+02 2008 0.308E+01 0.271E+01
DAV: 7 -0.448882655589E+03 -0.16305E+01 -0.70947E+01 1920 0.112E+01 0.136E+01
DAV: 8 -0.446381272264E+03 0.25014E+01 -0.80102E+00 2448 0.798E+00 0.944E+00
DAV: 9 -0.446928350884E+03 -0.54708E+00 -0.20272E+01 2000 0.433E+00 0.528E+00
DAV: 10 -0.445919423218E+03 0.10089E+01 -0.79128E-01 2184 0.403E+00 0.200E+00
DAV: 11 -0.445951357008E+03 -0.31934E-01 -0.81996E-01 1888 0.145E+00 0.179E+00
DAV: 12 -0.445975898399E+03 -0.24541E-01 -0.84398E-01 1976 0.862E-01 0.302E+00
DAV: 13 -0.446075323722E+03 -0.99425E-01 -0.21811E+00 2440 0.105E+00 0.443E+00
DAV: 14 -0.445925193863E+03 0.15013E+00 -0.18155E-01 2080 0.682E-01 0.138E+00
DAV: 15 -0.445923810137E+03 0.13837E-02 -0.80469E-02 2032 0.382E-01 0.296E-01
DAV: 16 -0.445928619447E+03 -0.48093E-02 -0.55346E-03 1848 0.191E-01 0.114E-01
DAV: 17 -0.445931723648E+03 -0.31042E-02 -0.25928E-03 2152 0.106E-01 0.559E-01
DAV: 18 -0.445932667878E+03 -0.94423E-03 -0.41754E-03 1968 0.108E-01 0.191E-01
DAV: 19 -0.445934419287E+03 -0.17514E-02 -0.72701E-04 1872 0.675E-02 0.150E-01
DAV: 20 -0.445936175156E+03 -0.17559E-02 -0.52787E-04 2048 0.587E-02 0.486E-02
DAV: 21 -0.445938031866E+03 -0.18567E-02 -0.31509E-04 1792 0.392E-02 0.565E-02
DAV: 22 -0.445938819751E+03 -0.78788E-03 -0.13908E-04 1792 0.240E-02 0.147E-02
DAV: 23 -0.445939147714E+03 -0.32796E-03 -0.50537E-05 1656 0.139E-02 0.119E-02
DAV: 24 -0.445939341938E+03 -0.19422E-03 -0.67852E-05 1416 0.166E-02 0.787E-02
DAV: 25 -0.445939374351E+03 -0.32413E-04 -0.51376E-05 1184 0.139E-02 0.107E-02
DAV: 26 -0.445939451012E+03 -0.76661E-04 -0.10169E-05 1144 0.746E-03 0.744E-03
DAV: 27 -0.445939483484E+03 -0.32472E-04 -0.52949E-06 968 0.662E-03 0.935E-03
DAV: 28 -0.445939499627E+03 -0.16143E-04 -0.22480E-06 952 0.345E-03 0.189E-03
DAV: 29 -0.445939517928E+03 -0.18301E-04 -0.12588E-06 984 0.244E-03 0.483E-03
DAV: 30 -0.445939525872E+03 -0.79436E-05 -0.60138E-07 936 0.181E-03
1 F= -.44593953E+03 E0= -.44591366E+03 d E =-.776035E-01