[Pw_forum] continue-help:E VS C curve gets worse when i enlarge encut and ..

xu yuehua njuxuyuehua at gmail.com
Sat Dec 15 15:10:35 CET 2007


ECUT=35, ecutrho=210
C         E

2.77  -137.79732
2.78  -137.79749
2.8   -137.79773
2.81  -137.79778
2.82  -137.79783
2.83  -137.79783
2.84  -137.79781
2.85  -137.79774
2.86  -137.79769
encut=35,ecutrho=350
2.77 -137.79723
2.78  -137.79741
2.8   -137.79763
2.81  -137.79767
2.82  -137.79771
2.83  -137.79772
2.84  -137.79772
2.85  -137.79765
2.86  -137.7976
2.87  -137.79752
2.88  -137.7974

encut=40,ecutrho=400
2.77 -137.81067
2.78 -137.81076
2.8  -137.81102
2.81  -137.81101
2.82  -137.81096
2.83  -137.811
2.84  -137.81093
2.85  -137.81099
2.86  -137.81082
2.87  -137.81085


-- 
Xu Yuehua
physics Department of Nanjing university
China
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