iterations/neb0_image07_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 0.210298376061E+04 0.21030E+04 -0.11604E+05 1696 0.105E+03
DAV: 2 -0.138051967707E+03 -0.22410E+04 -0.21511E+04 2152 0.262E+02
DAV: 3 -0.464603610773E+03 -0.32655E+03 -0.32178E+03 1880 0.108E+02
DAV: 4 -0.477377870970E+03 -0.12774E+02 -0.12727E+02 1960 0.227E+01
DAV: 5 -0.477858885073E+03 -0.48101E+00 -0.48073E+00 2120 0.384E+00 0.430E+01
DAV: 6 -0.448262094730E+03 0.29597E+02 -0.14749E+02 2008 0.321E+01 0.273E+01
DAV: 7 -0.445662562635E+03 0.25995E+01 -0.24367E+01 1848 0.115E+01 0.124E+01
DAV: 8 -0.445465857922E+03 0.19670E+00 -0.62135E+00 1992 0.580E+00 0.856E+00
DAV: 9 -0.447088020524E+03 -0.16222E+01 -0.24193E+01 2480 0.753E+00 0.750E+00
DAV: 10 -0.446369064249E+03 0.71896E+00 -0.12712E+00 1840 0.242E+00 0.624E+00
DAV: 11 -0.445254213069E+03 0.11149E+01 -0.14946E+00 2320 0.301E+00 0.361E+00
DAV: 12 -0.445139913951E+03 0.11430E+00 -0.71932E-01 1944 0.150E+00 0.116E+00
DAV: 13 -0.445151395120E+03 -0.11481E-01 -0.48385E-02 1880 0.542E-01 0.818E-01
DAV: 14 -0.445157407272E+03 -0.60122E-02 -0.20749E-02 1912 0.296E-01 0.757E-01
DAV: 15 -0.445160911845E+03 -0.35046E-02 -0.13731E-02 1920 0.314E-01 0.767E-01
DAV: 16 -0.445159252935E+03 0.16589E-02 -0.86676E-03 1960 0.366E-01 0.424E-01
DAV: 17 -0.445160208295E+03 -0.95536E-03 -0.43216E-03 1824 0.136E-01 0.381E-01
DAV: 18 -0.445160284801E+03 -0.76506E-04 -0.14057E-04 2176 0.258E-02 0.426E-01
DAV: 19 -0.445159292419E+03 0.99238E-03 -0.12105E-03 2136 0.111E-01 0.210E-01
DAV: 20 -0.445162350607E+03 -0.30582E-02 -0.56849E-03 1848 0.194E-01 0.349E-01
DAV: 21 -0.445165618747E+03 -0.32681E-02 -0.33855E-03 1976 0.158E-01 0.484E-01
DAV: 22 -0.445165283652E+03 0.33509E-03 -0.15228E-03 1888 0.101E-01 0.393E-01
DAV: 23 -0.445165651563E+03 -0.36791E-03 -0.32030E-04 1856 0.404E-02 0.345E-01
DAV: 24 -0.445165138986E+03 0.51258E-03 -0.39200E-04 1920 0.463E-02 0.247E-01
DAV: 25 -0.445165480533E+03 -0.34155E-03 -0.94706E-04 1768 0.732E-02 0.169E-01
DAV: 26 -0.445165718302E+03 -0.23777E-03 -0.11425E-03 1840 0.881E-02 0.526E-02
DAV: 27 -0.445166303025E+03 -0.58472E-03 -0.16219E-04 1816 0.359E-02 0.619E-02
DAV: 28 -0.445166782800E+03 -0.47978E-03 -0.40037E-04 1960 0.578E-02 0.119E-01
DAV: 29 -0.445166813297E+03 -0.30497E-04 -0.88073E-05 1776 0.241E-02 0.882E-02
DAV: 30 -0.445166790227E+03 0.23070E-04 -0.13174E-04 1696 0.341E-02 0.168E-02
DAV: 31 -0.445166824095E+03 -0.33868E-04 -0.21229E-05 1208 0.117E-02 0.181E-02
DAV: 32 -0.445166840999E+03 -0.16904E-04 -0.99830E-06 1160 0.104E-02 0.657E-03
DAV: 33 -0.445166854772E+03 -0.13773E-04 -0.21779E-05 1224 0.123E-02 0.265E-02
DAV: 34 -0.445166852778E+03 0.19941E-05 -0.19643E-06 936 0.391E-03
1 F= -.44516685E+03 E0= -.44515310E+03 d E =-.412687E-01