[Pw_forum] help : E VS C curve gets worse whne i enlarge encut and ecutrho

[xu yuehua]

hi all:
i am writing to ask  all if it is possible  to give me some advice about my
strange problem.
i relaxed only one crystall lattice c ,and get   E Vs C ,someone kindly
enough to suggest me to enlarge the encut and ecutetho in order to get
smoother parabola.but things go contrary to my wishes,the curve gets worse
,it is serration.
i enclose  the curve. the first graph is encut ,40,ecutrho 400,and the last
is 35,350. (uspp)
only the two ,i changed between the two calculation.


-- 
Xu Yuehua
physics Department of Nanjing university
China



-- 
Xu Yuehua
physics Department of Nanjing university
China
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