iterations/neb0_image09_iter28_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 0.209833728645E+04 0.20983E+04 -0.11613E+05 1704 0.105E+03
DAV: 2 -0.142569840471E+03 -0.22409E+04 -0.21513E+04 2160 0.262E+02
DAV: 3 -0.466500206592E+03 -0.32393E+03 -0.32058E+03 1840 0.108E+02
DAV: 4 -0.479254522318E+03 -0.12754E+02 -0.12706E+02 1968 0.227E+01
DAV: 5 -0.479712843463E+03 -0.45832E+00 -0.45811E+00 2144 0.378E+00 0.428E+01
DAV: 6 -0.447163984272E+03 0.32549E+02 -0.14290E+02 2016 0.310E+01 0.272E+01
DAV: 7 -0.448935283819E+03 -0.17713E+01 -0.72275E+01 1920 0.111E+01 0.136E+01
DAV: 8 -0.446329683871E+03 0.26056E+01 -0.79176E+00 2472 0.798E+00 0.920E+00
DAV: 9 -0.446895806029E+03 -0.56612E+00 -0.18654E+01 1976 0.419E+00 0.519E+00
DAV: 10 -0.445931331450E+03 0.96447E+00 -0.77654E-01 2216 0.400E+00 0.241E+00
DAV: 11 -0.445989731814E+03 -0.58400E-01 -0.12848E+00 1896 0.148E+00 0.293E+00
DAV: 12 -0.445994221392E+03 -0.44896E-02 -0.16804E+00 2056 0.107E+00 0.348E+00
DAV: 13 -0.446041270676E+03 -0.47049E-01 -0.21447E+00 2312 0.105E+00 0.406E+00
DAV: 14 -0.445920196701E+03 0.12107E+00 -0.26209E-01 2008 0.698E-01 0.727E-01
DAV: 15 -0.445926528165E+03 -0.63315E-02 -0.36694E-02 1944 0.319E-01 0.254E-01
DAV: 16 -0.445929160408E+03 -0.26322E-02 -0.38991E-03 1872 0.153E-01 0.223E-01
DAV: 17 -0.445931570180E+03 -0.24098E-02 -0.15342E-03 2072 0.900E-02 0.422E-01
DAV: 18 -0.445933040175E+03 -0.14700E-02 -0.30753E-03 1968 0.873E-02 0.228E-01
DAV: 19 -0.445935268225E+03 -0.22281E-02 -0.13989E-03 1872 0.915E-02 0.113E-01
DAV: 20 -0.445937421907E+03 -0.21537E-02 -0.87178E-04 1856 0.524E-02 0.833E-02
DAV: 21 -0.445938562392E+03 -0.11405E-02 -0.29175E-04 1792 0.328E-02 0.423E-02
DAV: 22 -0.445939224641E+03 -0.66225E-03 -0.25181E-04 2088 0.358E-02 0.799E-02
DAV: 23 -0.445939363782E+03 -0.13914E-03 -0.44420E-05 1512 0.155E-02 0.343E-02
DAV: 24 -0.445939523832E+03 -0.16005E-03 -0.47979E-05 1640 0.164E-02 0.168E-02
DAV: 25 -0.445939654350E+03 -0.13052E-03 -0.21618E-05 1264 0.983E-03 0.307E-02
DAV: 26 -0.445939715255E+03 -0.60904E-04 -0.95259E-06 1112 0.749E-03 0.828E-03
DAV: 27 -0.445939737497E+03 -0.22243E-04 -0.29245E-06 936 0.398E-03 0.478E-03
DAV: 28 -0.445939765326E+03 -0.27829E-04 -0.24566E-06 1016 0.548E-03 0.258E-03
DAV: 29 -0.445939779765E+03 -0.14438E-04 -0.19285E-06 944 0.310E-03 0.685E-03
DAV: 30 -0.445939785301E+03 -0.55364E-05 -0.57142E-07 944 0.249E-03
1 F= -.44593979E+03 E0= -.44591363E+03 d E =-.784745E-01