Runwien: a text-based interface for the WIEN package

Computer Physics Communications

Volumn 180, Issue 5, 2009, Pages 800-812

  Otero de la Roza, A ^a   Luaña, Víctor ^a  

^a UNIVERSITY OF OVIEDO   (Spain)

Author keywords

Full potential LAPW; Potential energy surfaces; Scripting languages; Topological analysis; WIEN2k

Indexed keywords

CORROSION PREVENTION; ELASTIC CONSTANTS; EQUATIONS OF STATE; LINGUISTICS; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; QUERY LANGUAGES; SOLAR CONCENTRATORS; SURFACE PHENOMENA; TEST FACILITIES; TITANIUM CARBIDE; UNIX;

CATALOGUE IDENTIFIERS; DEFAULT VALUES; DISTRIBUTED PROGRAMS; EQUATION OF STATE; FP-LAPW; FULL-POTENTIAL LAPW; GNU/LINUX; HEXAGONAL SYSTEMS; INPUT FILES; IRELAND; KOHN-SHAM EQUATIONS; OPERATING SYSTEMS; PARAMETER EXPLORATIONS; PENTIUM 4; PERL SCRIPTS; PLANE-WAVES; PROGRAMMING LANGUAGES; RUNNING TIME; SCRIPTING LANGUAGES; SOLUTION METHODS; SUBPROGRAMS; TEST CASE; TEST DATUM; TEXT FILES; TEXT-BASED INTERFACES; TOPOLOGICAL ANALYSIS; WIEN2K;

COMPUTER SOFTWARE;

EID: 61849145789     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cpc.2008.11.024     Document Type: Article

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