Density functional theory calculations of structure and properties of hexacyanocobaltates/hexacyanoferrates using planewaves and ultrasoft pseudopotentials

J Wojdel; ST Bromley; T Maschmeyer

Density functional theory calculations of structure and properties of hexacyanocobaltates/hexacyanoferrates using planewaves and ultrasoft pseudopotentials

J Wojdel, ST Bromley, T Maschmeyer

Research output: Chapter in Book/Conference proceedings/Edited volume › Conference contribution › Scientific › peer-review

Original language	Undefined/Unknown
Title of host publication	Advances in Science and Technology: Computational Modelling and Simulation of Materials III
Editors	F Vincenzini, A Lami, F Zerbetto
Place of Publication	Faenza, Italy
Publisher	Techna Group s.r.l.
Pages	119-127
Number of pages	9
ISBN (Print)	88-86538-45-6
Publication status	Published - 2004
Event	3rd International Conference Computational Modelling and Simulation of Materials, Acireale, Sicily, Italy - Faenza, Italy Duration: 30 May 2004 → 4 Jun 2004

Publication series

Name
Publisher	Techna Group s.r.l.

Name
Volume	42

Conference

Conference	3rd International Conference Computational Modelling and Simulation of Materials, Acireale, Sicily, Italy
Period	30/05/04 → 4/06/04

Keywords

conference contrib. refereed
Conf.proc. > 3 pag

Cite this

Wojdel, J., Bromley, ST., & Maschmeyer, T. (2004). Density functional theory calculations of structure and properties of hexacyanocobaltates/hexacyanoferrates using planewaves and ultrasoft pseudopotentials. In F. Vincenzini, A. Lami, & F. Zerbetto (Eds.), Advances in Science and Technology: Computational Modelling and Simulation of Materials III (pp. 119-127). Techna Group s.r.l..

Wojdel, J ; Bromley, ST ; Maschmeyer, T. / Density functional theory calculations of structure and properties of hexacyanocobaltates/hexacyanoferrates using planewaves and ultrasoft pseudopotentials. Advances in Science and Technology: Computational Modelling and Simulation of Materials III. editor / F Vincenzini ; A Lami ; F Zerbetto. Faenza, Italy : Techna Group s.r.l., 2004. pp. 119-127

@inproceedings{36b65263a1de4d4da1b2e2abc9156550,

title = "Density functional theory calculations of structure and properties of hexacyanocobaltates/hexacyanoferrates using planewaves and ultrasoft pseudopotentials",

keywords = "conference contrib. refereed, Conf.proc. > 3 pag",

author = "J Wojdel and ST Bromley and T Maschmeyer",

year = "2004",

language = "Undefined/Unknown",

isbn = "88-86538-45-6",

publisher = "Techna Group s.r.l.",

pages = "119--127",

editor = "F Vincenzini and A Lami and F Zerbetto",

booktitle = "Advances in Science and Technology: Computational Modelling and Simulation of Materials III",

note = "3rd International Conference Computational Modelling and Simulation of Materials, Acireale, Sicily, Italy ; Conference date: 30-05-2004 Through 04-06-2004",

}

Wojdel, J, Bromley, ST & Maschmeyer, T 2004, Density functional theory calculations of structure and properties of hexacyanocobaltates/hexacyanoferrates using planewaves and ultrasoft pseudopotentials. in F Vincenzini, A Lami & F Zerbetto (eds), Advances in Science and Technology: Computational Modelling and Simulation of Materials III. Techna Group s.r.l., Faenza, Italy, pp. 119-127, 3rd International Conference Computational Modelling and Simulation of Materials, Acireale, Sicily, Italy, 30/05/04.

Density functional theory calculations of structure and properties of hexacyanocobaltates/hexacyanoferrates using planewaves and ultrasoft pseudopotentials. / Wojdel, J; Bromley, ST; Maschmeyer, T.
Advances in Science and Technology: Computational Modelling and Simulation of Materials III. ed. / F Vincenzini; A Lami; F Zerbetto. Faenza, Italy: Techna Group s.r.l., 2004. p. 119-127.

Research output: Chapter in Book/Conference proceedings/Edited volume › Conference contribution › Scientific › peer-review

TY - GEN

T1 - Density functional theory calculations of structure and properties of hexacyanocobaltates/hexacyanoferrates using planewaves and ultrasoft pseudopotentials

AU - Wojdel, J

AU - Bromley, ST

AU - Maschmeyer, T

PY - 2004

Y1 - 2004

KW - conference contrib. refereed

KW - Conf.proc. > 3 pag

M3 - Conference contribution

SN - 88-86538-45-6

SP - 119

EP - 127

BT - Advances in Science and Technology: Computational Modelling and Simulation of Materials III

A2 - Vincenzini, F

A2 - Lami, A

A2 - Zerbetto, F

PB - Techna Group s.r.l.

CY - Faenza, Italy

T2 - 3rd International Conference Computational Modelling and Simulation of Materials, Acireale, Sicily, Italy

Y2 - 30 May 2004 through 4 June 2004

ER -

Wojdel J, Bromley ST, Maschmeyer T. Density functional theory calculations of structure and properties of hexacyanocobaltates/hexacyanoferrates using planewaves and ultrasoft pseudopotentials. In Vincenzini F, Lami A, Zerbetto F, editors, Advances in Science and Technology: Computational Modelling and Simulation of Materials III. Faenza, Italy: Techna Group s.r.l. 2004. p. 119-127