[Pw_forum] pseudo potential

Mansoureh Pashangpour mansourehp at gmail.com
Sun Sep 6 09:55:06 CEST 2009


Dear all
how can I  plot these pseudo potentials? how can I discribe the properties
of pseudo potentials?

*Fe.pbe-nd-rrkjus.UPF*<http://www.pwscf.org/pseudo/1.3/UPF/Fe.pbe-nd-rrkjus.UPF>
 (
*details*<http://www.pwscf.org/pseudo/upfdetails.php?upf=Fe.pbe-nd-rrkjus.UPF>)


	 Perdew-Burke-Ernzerhof (PBE) exch-corr
	 nonlinear core-correction
	 semicore state d in valence
	 Rabe Rappe Kaxiras Joannopoulos (ultrasoft)

and

*H.pbe-rrkjus.UPF* <http://www.pwscf.org/pseudo/1.3/UPF/H.pbe-rrkjus.UPF>
(*details* <http://www.pwscf.org/pseudo/upfdetails.php?upf=H.pbe-rrkjus.UPF>)


	 Perdew-Burke-Ernzerhof (PBE) exch-corr
	 Rabe Rappe Kaxiras Joannopoulos (ultrasoft)


and

*O.pbe-rrkjus.UPF*
<http://www.pwscf.org/pseudo/1.3/UPF/O.pbe-rrkjus.UPF>   (*details*
<http://www.pwscf.org/pseudo/upfdetails.php?upf=O.pbe-rrkjus.UPF>)

	 Perdew-Burke-Ernzerhof (PBE) exch-corr
	 Rabe Rappe Kaxiras Joannopoulos (ultrasoft)


Thanks
Mansoureh Pashangpour
Ph.D student
Islami Azad university
science & reaserch branch
Tehran, IRAN
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