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- From: "Ichiro Nagano" <nagano@atrc.mhi.co.jp>
- To: <forum@abinit.org>
- Subject: Re: [abinit-forum] help about pp
- Date: Mon, 19 Jul 2004 13:48:39 +0900
Dear Dr. Rongqin wu,
If you are desperate, how about VASP (PAW, USPP), CASTEP (USPP,
norm-conserving), CPMD (USPP), Wien2k (APW+lo) or MindLab (FP-LMTO)?
They have all the pps trough periodical tables and/or they can calculate all
the elements.
----- Original Message -----
From: "Wu Rongqin" <g0203654@nus.edu.sg>
To: <forum@abinit.org>
Sent: Thursday, July 15, 2004 9:53 PM
Subject: [abinit-forum] help about pp
Dear all,
As I tested the tm Zr pp downloaded from the abinti website and found
that the calculated lattices are 10% greater than experimental ones. So
any body can generate one for me?
In my test, I did not take the spin polarization into account.
I am desperate.
Rongqin wu
- help about pp, Wu Rongqin, 07/15/2004
- Re: [abinit-forum] help about pp, Manuela Volpe, 07/15/2004
- Re: [abinit-forum] help about pp, Johann Bouchet, 07/15/2004
- Re: [abinit-forum] help about pp, Masayoshi Mikami, 07/15/2004
- Re: [abinit-forum] help about pp, Ichiro Nagano, 07/19/2004
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