Matches in SemOpenAlex for { <https://semopenalex.org/work/W2278553685> ?p ?o ?g. }
Showing items 1 to 95 of
95
with 100 items per page.
- W2278553685 endingPage "144" @default.
- W2278553685 startingPage "139" @default.
- W2278553685 abstract "We present Phonon Unfolding, a Fortran90 program for unfolding phonon dispersions. It unfolds phonon dispersions by using a generalized projection algorithm, which can be used to any kind of atomic systems in principle. Thus our present program provides a very useful tool for the phonon dispersion and vibration mode analysis of surface reconstructions, atomic point defects, alloys and glasses. Program title:Phonon Unfolding Catalogue identifier: AFBI_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AFBI_v1_0.html Program obtainable from: CPC Program Library, Queen’s University, Belfast, N. Ireland Licensing provisions: GNU GPL v3 No. of lines in distributed program, including test data, etc.: 211922 No. of bytes in distributed program, including test data, etc.: 3138246 Distribution format: tar.gz Programming language: Fortran 90. Computer: Any computer architecture. Operating system: Linux, Windows, Mac. RAM: System dependent, about 10 MB Classification: 7.1, 7.4, 7.8. External routines: LAPACK, BLAS Nature of problem: The Brillouin zone of a supercell is smaller than that of a primary cell. It makes the supercell phonons more crowded. The crowded phonon dispersions are outright difficult, if not impossible, to be compared with experimental results directly. Besides, the intra-supercell translation symmetries are hidden in the supercell phonon dispersion calculations. In order to compare with experiments and catch the hidden symmetries, we have to unfold the supercell phonon dispersions into the corresponding primary-cell Brillouin zone. Solution method: The phonon polarization vectors are projected to a group of plane waves. The unfolding weight is calculated from these plane wave components. Unusual features: Applicable to general systems without considering which kind of translational symmetry breaking. Simple and user-friendly input system. Great efficiency and high unfolding speed. Running time: System dependent, from a few seconds to one hour." @default.
- W2278553685 created "2016-06-24" @default.
- W2278553685 creator A5009799358 @default.
- W2278553685 creator A5055151897 @default.
- W2278553685 date "2017-01-01" @default.
- W2278553685 modified "2023-10-05" @default.
- W2278553685 title "Phonon Unfolding : A program for unfolding phonon dispersions of materials" @default.
- W2278553685 cites W1964325433 @default.
- W2278553685 cites W1971863775 @default.
- W2278553685 cites W1981368803 @default.
- W2278553685 cites W1996008025 @default.
- W2278553685 cites W2005088918 @default.
- W2278553685 cites W2014935324 @default.
- W2278553685 cites W2030976617 @default.
- W2278553685 cites W2037292719 @default.
- W2278553685 cites W2037415593 @default.
- W2278553685 cites W2039508508 @default.
- W2278553685 cites W2039970342 @default.
- W2278553685 cites W2040689086 @default.
- W2278553685 cites W2046413565 @default.
- W2278553685 cites W2049965679 @default.
- W2278553685 cites W2058122340 @default.
- W2278553685 cites W2062521180 @default.
- W2278553685 cites W2076251086 @default.
- W2278553685 cites W2076858582 @default.
- W2278553685 cites W2098736175 @default.
- W2278553685 cites W2104757784 @default.
- W2278553685 cites W2105685140 @default.
- W2278553685 cites W2118492507 @default.
- W2278553685 cites W2125284466 @default.
- W2278553685 cites W2134233006 @default.
- W2278553685 cites W2147290521 @default.
- W2278553685 cites W2169580059 @default.
- W2278553685 cites W2230728100 @default.
- W2278553685 cites W2258351451 @default.
- W2278553685 cites W2322843530 @default.
- W2278553685 cites W2599292846 @default.
- W2278553685 cites W3104368143 @default.
- W2278553685 doi "https://doi.org/10.1016/j.cpc.2016.09.005" @default.
- W2278553685 hasPublicationYear "2017" @default.
- W2278553685 type Work @default.
- W2278553685 sameAs 2278553685 @default.
- W2278553685 citedByCount "12" @default.
- W2278553685 countsByYear W22785536852017 @default.
- W2278553685 countsByYear W22785536852018 @default.
- W2278553685 countsByYear W22785536852019 @default.
- W2278553685 countsByYear W22785536852020 @default.
- W2278553685 countsByYear W22785536852022 @default.
- W2278553685 countsByYear W22785536852023 @default.
- W2278553685 crossrefType "journal-article" @default.
- W2278553685 hasAuthorship W2278553685A5009799358 @default.
- W2278553685 hasAuthorship W2278553685A5055151897 @default.
- W2278553685 hasBestOaLocation W22785536852 @default.
- W2278553685 hasConcept C111919701 @default.
- W2278553685 hasConcept C121332964 @default.
- W2278553685 hasConcept C136498428 @default.
- W2278553685 hasConcept C153294291 @default.
- W2278553685 hasConcept C16291881 @default.
- W2278553685 hasConcept C24169881 @default.
- W2278553685 hasConcept C26873012 @default.
- W2278553685 hasConcept C2778241615 @default.
- W2278553685 hasConcept C41008148 @default.
- W2278553685 hasConcept C80316258 @default.
- W2278553685 hasConceptScore W2278553685C111919701 @default.
- W2278553685 hasConceptScore W2278553685C121332964 @default.
- W2278553685 hasConceptScore W2278553685C136498428 @default.
- W2278553685 hasConceptScore W2278553685C153294291 @default.
- W2278553685 hasConceptScore W2278553685C16291881 @default.
- W2278553685 hasConceptScore W2278553685C24169881 @default.
- W2278553685 hasConceptScore W2278553685C26873012 @default.
- W2278553685 hasConceptScore W2278553685C2778241615 @default.
- W2278553685 hasConceptScore W2278553685C41008148 @default.
- W2278553685 hasConceptScore W2278553685C80316258 @default.
- W2278553685 hasFunder F4320321001 @default.
- W2278553685 hasLocation W22785536851 @default.
- W2278553685 hasLocation W22785536852 @default.
- W2278553685 hasOpenAccess W2278553685 @default.
- W2278553685 hasPrimaryLocation W22785536851 @default.
- W2278553685 hasRelatedWork W1581232049 @default.
- W2278553685 hasRelatedWork W1821349882 @default.
- W2278553685 hasRelatedWork W2028678184 @default.
- W2278553685 hasRelatedWork W2037739164 @default.
- W2278553685 hasRelatedWork W2064726431 @default.
- W2278553685 hasRelatedWork W2078851655 @default.
- W2278553685 hasRelatedWork W2234768984 @default.
- W2278553685 hasRelatedWork W2374863042 @default.
- W2278553685 hasRelatedWork W2952186227 @default.
- W2278553685 hasRelatedWork W4225882729 @default.
- W2278553685 hasVolume "210" @default.
- W2278553685 isParatext "false" @default.
- W2278553685 isRetracted "false" @default.
- W2278553685 magId "2278553685" @default.
- W2278553685 workType "article" @default.