Dear all,
I am interested in a S-channel only GGA-gold PP, I haven't found any
anywhere and I have tried to generate it by myself, but it is not giving
the desired results (we don't know if it is the PP or something else). I
am new to generate PPs so I don't know if this is the correct way doing
it, my input file to ATOM looks like this.
pe Gold
tm2 0.00
n=Au c=pbr
0.0 0.0 0.0 0.0 0.0 0.0
13 2
6 0 1.00 0.00
6 1 0.00 0.00
2.18 2.70 2.70 2.70
12345678901234567890123456789012345678901234567890 Ruler
Does this look OK?
Regards!
Henrik
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Henrik Löfås, PhD-student
Condensed Matter Theory group, Department of Physics and material science
Uppsala University
Box 530, 751 21 Uppsala
[email protected]
018-471 3743
http://www.fysik.uu.se/
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