Stage_1/unstrained OSZICAR.out output for 742: XXX MT amorphous(poly(oxydiphenylene_pyromellitide)) from job 738
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.393689735430E+04 0.39369E+04 -0.28936E+05 896 0.111E+03
DAV: 2 -0.105272222137E+04 -0.49896E+04 -0.48030E+04 1144 0.298E+02
DAV: 3 -0.152657756499E+04 -0.47386E+03 -0.46874E+03 1040 0.972E+01
DAV: 4 -0.153872136454E+04 -0.12144E+02 -0.12091E+02 1096 0.167E+01
DAV: 5 -0.153910915998E+04 -0.38780E+00 -0.38716E+00 1104 0.277E+00 0.627E+01
DAV: 6 -0.144839014604E+04 0.90719E+02 -0.17358E+02 1000 0.196E+01 0.341E+01
DAV: 7 -0.143039232578E+04 0.17998E+02 -0.48375E+01 1064 0.114E+01 0.160E+01
DAV: 8 -0.142859156434E+04 0.18008E+01 -0.10586E+01 1048 0.496E+00 0.583E+00
DAV: 9 -0.142854045184E+04 0.51112E-01 -0.12991E+00 1064 0.236E+00 0.198E+00
DAV: 10 -0.142853751571E+04 0.29361E-02 -0.34370E-01 992 0.114E+00 0.699E-01
DAV: 11 -0.142854414958E+04 -0.66339E-02 -0.79851E-02 1032 0.492E-01 0.400E-01
DAV: 12 -0.142854506489E+04 -0.91532E-03 -0.11088E-02 1000 0.240E-01 0.231E-01
DAV: 13 -0.142854413845E+04 0.92644E-03 -0.62313E-03 968 0.212E-01 0.111E-01
DAV: 14 -0.142854248532E+04 0.16531E-02 -0.32873E-03 1072 0.153E-01 0.675E-02
DAV: 15 -0.142854196705E+04 0.51827E-03 -0.14176E-03 1040 0.863E-02 0.417E-02
DAV: 16 -0.142854179282E+04 0.17422E-03 -0.22760E-04 1072 0.382E-02 0.249E-02
DAV: 17 -0.142854171709E+04 0.75736E-04 -0.37918E-05 1008 0.268E-02 0.126E-02
DAV: 18 -0.142854168195E+04 0.35143E-04 -0.23230E-05 920 0.249E-02 0.738E-03
DAV: 19 -0.142854166783E+04 0.14113E-04 -0.39136E-05 1048 0.207E-02 0.589E-03
DAV: 20 -0.142854166289E+04 0.49410E-05 -0.20781E-05 800 0.120E-02
1 F= -.14285417E+04 E0= -.14285582E+04 d E =-.142854E+04