[Pw_forum] a superficial question about the same parameters in relax and scf
njuxuyuehua at gmail.com
Wed Dec 5 14:57:37 CET 2007
hi everyone :
i have a question about the main parameters used in relax and scf ,for
example :ecutwfc ,
ecutrho ,if i have test them in relax ,and whether i should retest
them when i do scf ,or enlarge them ,because ,in other software ,if you want
to get more accurate energy ,you are asked to enlarge some
parameters similar to ecutwfc , ecutrho etc.
maybe ,it is a foolish or misunderstanding questions .but i hope you could
help me ,to understanding how and why .
physics Department of Nanjing university
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