iterations/neb0_image03_iter63_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 0.209787745738E+04 0.20979E+04 -0.11599E+05 1696 0.105E+03
DAV: 2 -0.138746135581E+03 -0.22366E+04 -0.21459E+04 2160 0.262E+02
DAV: 3 -0.463655673389E+03 -0.32491E+03 -0.31916E+03 1896 0.108E+02
DAV: 4 -0.476816663046E+03 -0.13161E+02 -0.13116E+02 1968 0.229E+01
DAV: 5 -0.477266387101E+03 -0.44972E+00 -0.44952E+00 2120 0.377E+00 0.432E+01
DAV: 6 -0.453690986569E+03 0.23575E+02 -0.14818E+02 2024 0.319E+01 0.419E+01
DAV: 7 -0.453635553800E+03 0.55433E-01 -0.83183E+01 1808 0.146E+01 0.219E+01
DAV: 8 -0.447047383623E+03 0.65882E+01 -0.98577E+00 1856 0.878E+00 0.136E+01
DAV: 9 -0.447173330425E+03 -0.12595E+00 -0.23626E+01 2024 0.109E+01 0.118E+01
DAV: 10 -0.446365786862E+03 0.80754E+00 -0.34195E+00 1824 0.340E+00 0.109E+01
DAV: 11 -0.445477075398E+03 0.88871E+00 -0.61142E-01 1968 0.204E+00 0.913E+00
DAV: 12 -0.445494350858E+03 -0.17275E-01 -0.88602E+00 2120 0.500E+00 0.118E+01
DAV: 13 -0.444367969645E+03 0.11264E+01 -0.13359E+00 1976 0.390E+00 0.554E+00
DAV: 14 -0.444195499191E+03 0.17247E+00 -0.39349E-01 1840 0.110E+00 0.201E+00
DAV: 15 -0.444187600198E+03 0.78990E-02 -0.63873E-02 1888 0.763E-01 0.986E-01
DAV: 16 -0.444223711608E+03 -0.36111E-01 -0.36968E-02 1976 0.535E-01 0.193E+00
DAV: 17 -0.444210821482E+03 0.12890E-01 -0.11208E-02 1840 0.323E-01 0.480E-01
DAV: 18 -0.444217853724E+03 -0.70322E-02 -0.36630E-03 2016 0.169E-01 0.615E-01
DAV: 19 -0.444217409949E+03 0.44377E-03 -0.40978E-03 1872 0.159E-01 0.131E-01
DAV: 20 -0.444219874538E+03 -0.24646E-02 -0.10863E-03 1928 0.926E-02 0.216E-01
DAV: 21 -0.444220324701E+03 -0.45016E-03 -0.49335E-04 1880 0.634E-02 0.134E-01
DAV: 22 -0.444221093139E+03 -0.76844E-03 -0.13345E-04 1832 0.317E-02 0.394E-02
DAV: 23 -0.444223542720E+03 -0.24496E-02 -0.67485E-04 1832 0.593E-02 0.788E-02
DAV: 24 -0.444223593165E+03 -0.50445E-04 -0.10958E-04 1872 0.232E-02 0.734E-02
DAV: 25 -0.444223822874E+03 -0.22971E-03 -0.34859E-05 1520 0.208E-02 0.396E-02
DAV: 26 -0.444224131580E+03 -0.30871E-03 -0.62537E-05 1752 0.236E-02 0.399E-02
DAV: 27 -0.444224191610E+03 -0.60030E-04 -0.17066E-05 1192 0.106E-02 0.338E-02
DAV: 28 -0.444224238606E+03 -0.46996E-04 -0.10864E-05 1216 0.889E-03 0.902E-03
DAV: 29 -0.444224271720E+03 -0.33114E-04 -0.37071E-06 952 0.591E-03 0.932E-03
DAV: 30 -0.444224303616E+03 -0.31896E-04 -0.29615E-06 1048 0.458E-03 0.587E-03
DAV: 31 -0.444224315962E+03 -0.12346E-04 -0.12594E-06 936 0.327E-03 0.717E-03
DAV: 32 -0.444224322399E+03 -0.64374E-05 -0.18117E-06 944 0.353E-03
1 F= -.44422432E+03 E0= -.44421384E+03 d E =-.314479E-01