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Re: [abinit-forum] Electrostatic potential


Chronological Thread 
  • From: verstraete@pcpm.ucl.ac.be
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] Electrostatic potential
  • Date: Thu, 7 Oct 2004 17:59:10 +0200 (CEST)


prt1dm is even better: it calculates the planar averaged potential along lines parallel to the cell axes. It gives pot(x) pot(y) pot(z) averaged in planes parallel to the corresponding face of the unit cell (ie constant reduced coordinate).

prtpot will give you the KS potential in the whole cell, in a binary file analyzable by cut3d.

Matthieu

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Matthieu Verstraete mailto:verstraete@pcpm.ucl.ac.be PCPM, Boltzmann, pl. Croix du Sud, 1 tel: 010/ 47 33 59
B-1348 Louvain-la-Neuve Belgium fax: 010/ 47 34 52



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