iterations/neb0_image09_iter62_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 0.209639748382E+04 0.20964E+04 -0.11611E+05 1704 0.105E+03
DAV: 2 -0.140749699082E+03 -0.22371E+04 -0.21459E+04 2136 0.262E+02
DAV: 3 -0.466262544764E+03 -0.32551E+03 -0.32205E+03 1848 0.108E+02
DAV: 4 -0.479176970259E+03 -0.12914E+02 -0.12861E+02 1952 0.228E+01
DAV: 5 -0.479662720647E+03 -0.48575E+00 -0.48550E+00 2112 0.387E+00 0.427E+01
DAV: 6 -0.447091555411E+03 0.32571E+02 -0.14267E+02 2024 0.309E+01 0.271E+01
DAV: 7 -0.449130350216E+03 -0.20388E+01 -0.76743E+01 1920 0.111E+01 0.137E+01
DAV: 8 -0.446211615341E+03 0.29187E+01 -0.80879E+00 2432 0.801E+00 0.829E+00
DAV: 9 -0.446761434589E+03 -0.54982E+00 -0.12779E+01 1864 0.375E+00 0.467E+00
DAV: 10 -0.446051620766E+03 0.70981E+00 -0.57099E-01 2088 0.381E+00 0.399E+00
DAV: 11 -0.446215890845E+03 -0.16427E+00 -0.35353E+00 1920 0.178E+00 0.414E+00
DAV: 12 -0.445997720114E+03 0.21817E+00 -0.90731E-01 1984 0.136E+00 0.233E+00
DAV: 13 -0.446015226038E+03 -0.17506E-01 -0.80146E-01 1992 0.817E-01 0.249E+00
DAV: 14 -0.445976558837E+03 0.38667E-01 -0.29815E-01 1904 0.536E-01 0.618E-01
DAV: 15 -0.445980564233E+03 -0.40054E-02 -0.97867E-03 1928 0.237E-01 0.157E-01
DAV: 16 -0.445982339493E+03 -0.17753E-02 -0.24292E-03 1864 0.118E-01 0.935E-02
DAV: 17 -0.445986102571E+03 -0.37631E-02 -0.10754E-02 2168 0.833E-02 0.530E-01
DAV: 18 -0.445987407824E+03 -0.13053E-02 -0.27025E-02 2232 0.138E-01 0.464E-01
DAV: 19 -0.445989003154E+03 -0.15953E-02 -0.99553E-04 1816 0.599E-02 0.289E-01
DAV: 20 -0.445989704175E+03 -0.70102E-03 -0.49459E-04 1944 0.377E-02 0.121E-01
DAV: 21 -0.445990564498E+03 -0.86032E-03 -0.50047E-04 1984 0.373E-02 0.584E-02
DAV: 22 -0.445991253903E+03 -0.68941E-03 -0.21133E-04 1832 0.264E-02 0.133E-01
DAV: 23 -0.445991369666E+03 -0.11576E-03 -0.13978E-04 1600 0.209E-02 0.561E-02
DAV: 24 -0.445991571470E+03 -0.20180E-03 -0.10336E-04 1728 0.190E-02 0.136E-02
DAV: 25 -0.445991684039E+03 -0.11257E-03 -0.24091E-05 1160 0.103E-02 0.413E-02
DAV: 26 -0.445991728199E+03 -0.44160E-04 -0.21312E-05 1120 0.888E-03 0.656E-03
DAV: 27 -0.445991758148E+03 -0.29949E-04 -0.38390E-06 944 0.448E-03 0.349E-03
DAV: 28 -0.445991795555E+03 -0.37407E-04 -0.30674E-06 1072 0.313E-03 0.511E-03
DAV: 29 -0.445991806075E+03 -0.10520E-04 -0.17570E-06 936 0.196E-03 0.500E-03
DAV: 30 -0.445991810873E+03 -0.47983E-05 -0.45621E-07 936 0.168E-03
1 F= -.44599181E+03 E0= -.44596533E+03 d E =-.794288E-01