Stage_1/unstrained OSZICAR.out output for 744: XXX MT amorphous(poly(oxydiphenylene_pyromellitide)) from job 738 (test-3)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.395798735285E+04 0.39580E+04 -0.28961E+05 890 0.112E+03
DAV: 2 -0.105012246046E+04 -0.50081E+04 -0.48298E+04 1156 0.299E+02
DAV: 3 -0.152649011254E+04 -0.47637E+03 -0.47144E+03 1020 0.981E+01
DAV: 4 -0.153875397996E+04 -0.12264E+02 -0.12218E+02 1100 0.169E+01
DAV: 5 -0.153910993205E+04 -0.35595E+00 -0.35541E+00 1084 0.270E+00 0.627E+01
DAV: 6 -0.144838808037E+04 0.90722E+02 -0.17470E+02 988 0.198E+01 0.341E+01
DAV: 7 -0.143039423060E+04 0.17994E+02 -0.48648E+01 1060 0.115E+01 0.160E+01
DAV: 8 -0.142858966241E+04 0.18046E+01 -0.10592E+01 1036 0.499E+00 0.582E+00
DAV: 9 -0.142854001426E+04 0.49648E-01 -0.13031E+00 1060 0.237E+00 0.197E+00
DAV: 10 -0.142853746089E+04 0.25534E-02 -0.34338E-01 988 0.115E+00 0.696E-01
DAV: 11 -0.142854416372E+04 -0.67028E-02 -0.79982E-02 1004 0.495E-01 0.399E-01
DAV: 12 -0.142854505444E+04 -0.89072E-03 -0.11112E-02 1004 0.242E-01 0.231E-01
DAV: 13 -0.142854414022E+04 0.91422E-03 -0.63328E-03 956 0.213E-01 0.112E-01
DAV: 14 -0.142854248901E+04 0.16512E-02 -0.33130E-03 1076 0.154E-01 0.679E-02
DAV: 15 -0.142854196969E+04 0.51931E-03 -0.14273E-03 1028 0.868E-02 0.419E-02
DAV: 16 -0.142854179214E+04 0.17756E-03 -0.22812E-04 1076 0.388E-02 0.248E-02
DAV: 17 -0.142854171682E+04 0.75317E-04 -0.40074E-05 980 0.271E-02 0.126E-02
DAV: 18 -0.142854168182E+04 0.35000E-04 -0.23546E-05 948 0.250E-02 0.736E-03
DAV: 19 -0.142854166783E+04 0.13986E-04 -0.39291E-05 1036 0.208E-02 0.591E-03
DAV: 20 -0.142854166288E+04 0.49568E-05 -0.20332E-05 780 0.120E-02
1 F= -.14285417E+04 E0= -.14285582E+04 d E =-.142854E+04