In this version there are changes, where I can find about them?
For example, in
Gd_1.25 Sr_0.75 Ni O_4
after "init" I got
R-MT*K-MAX=5.96
GdSrNiO4-3.klist;
1 2 2 7 28 8.0 -7.0 1.5 147 k, div: ( 7
7 2)
2 2 6 7 28 8.0
****
16 14 14 7 28 2.0
END
----
is 5.96 and 147 a good quality calculation?
Before I thought it was 7 and 1000
Saludos
Pablo
_______________________________________________
Wien mailing list
[email protected]
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:
http://www.mail-archive.com/[email protected]/index.html