[Wien] gmax

wien2k wien2k at research3.acomp.usf.edu
Thu Apr 14 20:58:20 CEST 2005


I have a molecular ionic system with quite different RMT's.
I am trying to increase gmax in .in2_st (from 14 to 28 since
my gmin comes out 24.56) but it gets reset by dstart back
to 14.  Waht am I doing wrong and how can I possibly decrease
gmin?

--Thanks.

P.S: I am using w2web for setting up calculations.




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