[Wien] rkmax reduced

Yundi Quan quanyundi at gmail.com
Mon May 2 18:32:11 CEST 2016


Hi,
Typically, RKMAX is reduced when it exceeds the memory specification in the
lapw1 parameter file. But when I specify RKMAX=7, it automatically reduces
to 6.99 or even 6.95 without printing out any warning. I checked the scf
file and it didn't say anything about why RKMAX is reduced. Is it something
to be concerned about for the total energy calculation? Thanks.
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