External optional components of Abinit (BigDFT, Wannier90...) and codes using/providing data from/to Abinit (AtomPAW, ONCVPSP, EXC, DP, Yambo...)
Moderators: ebousquet, bxu
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Yesheng
- Posts: 11
- Joined: Mon Sep 03, 2012 10:09 pm
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by Yesheng » Tue Dec 04, 2012 8:33 pm
Hi all,
I used the recommended PAW atomic data for Zn and plotted the file wfn0:
I'm not sure if this can be considered a good match between the exact and PAW curves. Does anyone know if this is acceptable? I'm guessing that I'm probably using a later version of ATOMPAW to generate the datasets or something...
Thanks!
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Yesheng
- Posts: 11
- Joined: Mon Sep 03, 2012 10:09 pm
Post
by Yesheng » Tue Dec 04, 2012 9:57 pm
I'm sorry I actually meant to say that I plotted the 'logderiv.0' file, and not the 'wfn0' file in my previous post.
