iterations/neb0_image01_iter6_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 0.208883961671E+04 0.20888E+04 -0.11606E+05 1704 0.105E+03
DAV: 2 -0.140587137605E+03 -0.22294E+04 -0.21421E+04 2136 0.261E+02
DAV: 3 -0.461267782309E+03 -0.32068E+03 -0.31710E+03 1872 0.107E+02
DAV: 4 -0.474974911942E+03 -0.13707E+02 -0.13507E+02 1984 0.229E+01
DAV: 5 -0.475505653298E+03 -0.53074E+00 -0.52789E+00 2096 0.388E+00 0.434E+01
DAV: 6 -0.457035467085E+03 0.18470E+02 -0.23106E+02 2048 0.316E+01 0.411E+01
DAV: 7 -0.450395088375E+03 0.66404E+01 -0.42652E+01 1772 0.139E+01 0.202E+01
DAV: 8 -0.445763532281E+03 0.46316E+01 -0.80415E+00 1768 0.738E+00 0.117E+01
DAV: 9 -0.446320631507E+03 -0.55710E+00 -0.22450E+01 2016 0.844E+00 0.962E+00
DAV: 10 -0.445891176142E+03 0.42946E+00 -0.17009E+00 1832 0.230E+00 0.871E+00
DAV: 11 -0.444954041607E+03 0.93713E+00 -0.71030E-01 2000 0.199E+00 0.621E+00
DAV: 12 -0.445238066114E+03 -0.28402E+00 -0.50439E+00 2080 0.324E+00 0.138E+01
DAV: 13 -0.444354064489E+03 0.88400E+00 -0.74846E-01 1992 0.259E+00 0.368E+00
DAV: 14 -0.444400243279E+03 -0.46179E-01 -0.14821E-01 1872 0.773E-01 0.260E+00
DAV: 15 -0.444343777420E+03 0.56466E-01 -0.16579E-02 1976 0.399E-01 0.789E-01
DAV: 16 -0.444359529902E+03 -0.15752E-01 -0.85436E-03 1936 0.318E-01 0.806E-01
DAV: 17 -0.444363565298E+03 -0.40354E-02 -0.80276E-02 1928 0.291E-01 0.399E-01
DAV: 18 -0.444369583619E+03 -0.60183E-02 -0.28119E-03 1888 0.145E-01 0.308E-01
DAV: 19 -0.444369204137E+03 0.37948E-03 -0.11456E-03 1912 0.785E-02 0.178E-01
DAV: 20 -0.444369849851E+03 -0.64571E-03 -0.38858E-04 2088 0.557E-02 0.603E-02
DAV: 21 -0.444371502839E+03 -0.16530E-02 -0.37642E-04 2056 0.575E-02 0.113E-01
DAV: 22 -0.444372127536E+03 -0.62470E-03 -0.16995E-04 2360 0.396E-02 0.418E-02
DAV: 23 -0.444372470562E+03 -0.34303E-03 -0.14489E-04 1808 0.274E-02 0.295E-02
DAV: 24 -0.444372852017E+03 -0.38145E-03 -0.29690E-05 1504 0.151E-02 0.173E-02
DAV: 25 -0.444373463082E+03 -0.61106E-03 -0.74020E-05 1656 0.207E-02 0.665E-02
DAV: 26 -0.444373492320E+03 -0.29239E-04 -0.22198E-05 1432 0.136E-02 0.271E-02
DAV: 27 -0.444373540903E+03 -0.48583E-04 -0.11683E-05 1136 0.834E-03 0.189E-02
DAV: 28 -0.444373561600E+03 -0.20697E-04 -0.38545E-06 936 0.550E-03 0.166E-02
DAV: 29 -0.444373607978E+03 -0.46378E-04 -0.22321E-05 1344 0.128E-02 0.714E-03
DAV: 30 -0.444373613651E+03 -0.56736E-05 -0.46219E-06 912 0.524E-03
1 F= -.44437361E+03 E0= -.44436665E+03 d E =-.208827E-01