iterations/neb0_image08_iter51_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 0.210253059963E+04 0.21025E+04 -0.11603E+05 1696 0.105E+03
DAV: 2 -0.142052915540E+03 -0.22446E+04 -0.21542E+04 2176 0.262E+02
DAV: 3 -0.466145300490E+03 -0.32409E+03 -0.32080E+03 1824 0.108E+02
DAV: 4 -0.478926856637E+03 -0.12782E+02 -0.12731E+02 1992 0.227E+01
DAV: 5 -0.479388452060E+03 -0.46160E+00 -0.46137E+00 2096 0.381E+00 0.427E+01
DAV: 6 -0.447623725392E+03 0.31765E+02 -0.14406E+02 2000 0.310E+01 0.271E+01
DAV: 7 -0.448315558732E+03 -0.69183E+00 -0.57263E+01 1856 0.111E+01 0.136E+01
DAV: 8 -0.446894667291E+03 0.14209E+01 -0.83416E+00 2464 0.793E+00 0.994E+00
DAV: 9 -0.446395524143E+03 0.49914E+00 -0.13018E+01 2024 0.453E+00 0.557E+00
DAV: 10 -0.446083420063E+03 0.31210E+00 -0.88922E-01 2232 0.438E+00 0.602E+00
DAV: 11 -0.445774592847E+03 0.30883E+00 -0.35289E+00 1936 0.210E+00 0.302E+00
DAV: 12 -0.445767048633E+03 0.75442E-02 -0.10137E+00 1944 0.107E+00 0.223E+00
DAV: 13 -0.445775909124E+03 -0.88605E-02 -0.67969E-01 1992 0.670E-01 0.241E+00
DAV: 14 -0.445746777475E+03 0.29132E-01 -0.28480E-01 2056 0.556E-01 0.627E-01
DAV: 15 -0.445753046339E+03 -0.62689E-02 -0.15625E-02 1912 0.266E-01 0.496E-01
DAV: 16 -0.445752671353E+03 0.37499E-03 -0.47447E-03 1880 0.124E-01 0.226E-01
DAV: 17 -0.445754381529E+03 -0.17102E-02 -0.17157E-03 2016 0.906E-02 0.143E-01
DAV: 18 -0.445757050125E+03 -0.26686E-02 -0.49921E-04 1896 0.687E-02 0.428E-02
DAV: 19 -0.445759439214E+03 -0.23891E-02 -0.59931E-04 1856 0.608E-02 0.209E-01
DAV: 20 -0.445760203111E+03 -0.76390E-03 -0.36732E-04 1904 0.511E-02 0.450E-02
DAV: 21 -0.445761757628E+03 -0.15545E-02 -0.30228E-04 1800 0.349E-02 0.978E-02
DAV: 22 -0.445762339453E+03 -0.58183E-03 -0.15643E-04 1808 0.287E-02 0.425E-02
DAV: 23 -0.445762587520E+03 -0.24807E-03 -0.62979E-05 1720 0.192E-02 0.190E-02
DAV: 24 -0.445762699672E+03 -0.11215E-03 -0.23242E-05 1336 0.137E-02 0.164E-02
DAV: 25 -0.445762734822E+03 -0.35149E-04 -0.95418E-06 968 0.787E-03 0.116E-02
DAV: 26 -0.445762792080E+03 -0.57259E-04 -0.41081E-06 1064 0.515E-03 0.134E-02
DAV: 27 -0.445762828307E+03 -0.36227E-04 -0.28888E-06 1032 0.518E-03 0.493E-03
DAV: 28 -0.445762846128E+03 -0.17821E-04 -0.16309E-06 936 0.293E-03 0.369E-03
DAV: 29 -0.445762853541E+03 -0.74126E-05 -0.68246E-07 976 0.207E-03
1 F= -.44576285E+03 E0= -.44573734E+03 d E =-.765394E-01