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Atomic calculations from tabulated T-M pseudopotentials?


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  • From: "David M. Wood" <dmwood@Mines.EDU>
  • To: forum@abinit.org
  • Subject: Atomic calculations from tabulated T-M pseudopotentials?
  • Date: Sun, 28 Aug 2005 20:25:48 -0600

Howdy all!

I have searched the ABINIT archives and Googled a bit, but have found no answer, or have looked in the wrong places.

I have been using several of the Troullier-Martins pseudopotentials downloadable from the ABINIT site and would like to compute the cohesive energy of several structures, so I obviously need to run an atomic ground state calculation using the same pseudopotentials.

Can someone point me toward an atomic code which can read the as- tabulated T-M pseudopotentials [pspcod=1], or otherwise enlighten me?
[I'd rather not generate from scratch new T-M potentials, though rcpsp looks somewhat like a cutoff radius?]

Thanks!

David M. Wood, Department of Physics, Colorado School of Mines,
Golden, CO 80401; Phone: (303) 273-3853; Fax: (303) 273-3919
http://www.mines.edu/Academic/physics/people/pages/wood.html




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