iterations/neb0_image04_iter18_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 0.208877094318E+04 0.20888E+04 -0.11607E+05 1704 0.105E+03
DAV: 2 -0.139679353465E+03 -0.22285E+04 -0.21343E+04 2136 0.261E+02
DAV: 3 -0.465279888816E+03 -0.32560E+03 -0.32207E+03 1888 0.108E+02
DAV: 4 -0.477635425895E+03 -0.12356E+02 -0.12308E+02 1960 0.224E+01
DAV: 5 -0.478106859385E+03 -0.47143E+00 -0.47121E+00 2152 0.378E+00 0.428E+01
DAV: 6 -0.447783910857E+03 0.30323E+02 -0.14644E+02 2024 0.317E+01 0.370E+01
DAV: 7 -0.453309113913E+03 -0.55252E+01 -0.16811E+02 1888 0.147E+01 0.205E+01
DAV: 8 -0.447097878163E+03 0.62112E+01 -0.88459E+00 1808 0.875E+00 0.127E+01
DAV: 9 -0.446359505802E+03 0.73837E+00 -0.27439E+01 1968 0.139E+01 0.180E+01
DAV: 10 -0.444557195851E+03 0.18023E+01 -0.20535E+01 1872 0.452E+00 0.877E+00
DAV: 11 -0.444285947032E+03 0.27125E+00 -0.59383E-01 2072 0.142E+00 0.813E+00
DAV: 12 -0.444115428218E+03 0.17052E+00 -0.29998E-01 2048 0.135E+00 0.592E+00
DAV: 13 -0.444253618668E+03 -0.13819E+00 -0.54962E+00 2072 0.176E+00 0.126E+01
DAV: 14 -0.443660127371E+03 0.59349E+00 -0.28784E+00 2040 0.128E+00 0.438E+00
DAV: 15 -0.444102222449E+03 -0.44210E+00 -0.27005E+00 2112 0.169E+00 0.101E+01
DAV: 16 -0.443637738260E+03 0.46448E+00 -0.20421E+00 1952 0.123E+00 0.406E+00
DAV: 17 -0.443763098175E+03 -0.12536E+00 -0.17122E+00 2272 0.118E+00 0.339E+00
DAV: 18 -0.443732011943E+03 0.31086E-01 -0.16586E-01 1912 0.693E-01 0.129E+00
DAV: 19 -0.443744439658E+03 -0.12428E-01 -0.61087E-02 2016 0.387E-01 0.137E+00
DAV: 20 -0.443750435611E+03 -0.59960E-02 -0.34297E-02 2168 0.295E-01 0.138E+00
DAV: 21 -0.443746870228E+03 0.35654E-02 -0.93834E-03 1744 0.171E-01 0.291E-01
DAV: 22 -0.443754756839E+03 -0.78866E-02 -0.15664E-03 1920 0.972E-02 0.294E-01
DAV: 23 -0.443758631713E+03 -0.38749E-02 -0.52442E-03 2120 0.975E-02 0.935E-01
DAV: 24 -0.443753710331E+03 0.49214E-02 -0.48521E-03 1888 0.840E-02 0.138E-01
DAV: 25 -0.443760700073E+03 -0.69897E-02 -0.98250E-04 1888 0.581E-02 0.945E-02
DAV: 26 -0.443761878183E+03 -0.11781E-02 -0.15298E-04 1736 0.227E-02 0.671E-02
DAV: 27 -0.443762415179E+03 -0.53700E-03 -0.79667E-05 1640 0.168E-02 0.702E-02
DAV: 28 -0.443762611351E+03 -0.19617E-03 -0.14388E-04 1432 0.120E-02 0.670E-02
DAV: 29 -0.443762741949E+03 -0.13060E-03 -0.52173E-05 1384 0.105E-02 0.231E-02
DAV: 30 -0.443762794891E+03 -0.52943E-04 -0.56258E-06 944 0.491E-03 0.128E-02
DAV: 31 -0.443762828820E+03 -0.33928E-04 -0.50632E-06 1064 0.674E-03 0.764E-03
DAV: 32 -0.443762851457E+03 -0.22637E-04 -0.16262E-06 952 0.314E-03 0.348E-03
DAV: 33 -0.443762861892E+03 -0.10434E-04 -0.86124E-07 960 0.230E-03 0.794E-03
DAV: 34 -0.443762869136E+03 -0.72441E-05 -0.11236E-06 944 0.314E-03
1 F= -.44376287E+03 E0= -.44373685E+03 d E =-.780433E-01