Dear siesta users,
I have a question about the softconfinement of PAO Basis. I search in previous
mailing archives about my query, but didnt get any satisfactory answer.
For calculation of any compound, on running siesta, it will give some default
values in PAO block, (the values of rc's). But if we set some intial value of
V0 and r for softconfinement, then siesta will not print its value. So can
anybody tell me how can i choose the initial values of V0 and r for
softconfinement?
And do i have to change the siesta code, so that it will show the values of Vo
and r, in PAO block (not in the input part)
regards
Bipul Rakshit
SRF DAE-BRNS
Computational Research Lab.
Barkatullah University,
Bhopal 462 026, India
Mob.: +919406540952
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