Skip to Content.
Sympa Menu

forum - Re: [abinit-forum] help about pp

forum@abinit.org

Subject: The ABINIT Users Mailing List ( CLOSED )

List archive

Re: [abinit-forum] help about pp


Chronological Thread 
  • 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




Archive powered by MHonArc 2.6.16.

Top of Page