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1、JournalofPhysics:CondensedMatterPAPERRelatedcontent-QUANTUMESPRESSO:amodularandAdvancedcapabilitiesformaterialsmodellingwithopen-sourcesoftwareprojectforquantumsimulationsofmaterialsQuantumESPRESSOPaoloGiannozzi,StefanoBaroni,NicolaBoninietal.-ElectronicstructurecalculationswithTocitethis
2、article:PGiannozzietal2017J.Phys.:Condens.Matter29465901GPAW:areal-spaceimplementationoftheprojectoraugmented-wavemethodJEnkovaara,CRostgaard,JJMortensenetal.-exciting:afull-potentialall-electronViewthearticleonlineforupdatesandenhancements.packageimplementingdensity-functionaltheoryandma
3、ny-bodyperturbationtheoryAndrisGulans,StefanKontur,ChristianMeisenbichleretal.Recentcitations-AnalysisofthestatisticalandconvergencepropertiesofionictransportcoefficientswithapplicationtothesolidelectrolyteLi2OHClJasonDavidHowardandN.A.W.Holzwarth-Designingantiphaseboundariesbyatomiccontr
4、olofheterointerfacesZhenWangetal-MagneticfieldinducedWeylsemimetalfromWannier-function-basedtight-bindingmodelJohnW.VillanovaandKyungwhaParkThiscontentwasdownloadedfromIPaddress117.165.42.169on21/08/2018at03:58IOPJournalofPhysics:CondensedMatterJournalofPhysics:CondensedMatterJ.Phys.:Cond
5、ens.MatterJ.Phys.:Condens.Matter29(2017)465901(30pp)https://doi.org/10.1088/1361-648X/aa8f7929Advancedcapabilitiesformaterials2017modellingwithQuantumESPRESSO©2017IOPPublishingLtdP Giannozzi1,O Andreussi2,9,T Brumme3,O Bunau4,M BuongiornoNardelli5,M Calandra4,R Car6,C Cavazzoni7,D Ceresol
6、i8,M Cococcioni9,JCOMELN Colonna9,I Carnimeo1,A DalCorso10,32,S deGironcoli10,32,P Delugas10,R A DiStasioJr11,A Ferretti12,A Floris13,G Fratesi14,465901G Fugallo15,R Gebauer16,U Gerstmann17,F Giustino18,T Gorni4,10,J Jia11,M Kawamura19,H-Y Ko6,A Kokalj20,E Küçükbenli10,M Lazzeri4,M Marsil
7、i21,N Marzari9,F Mauri22,N L Nguyen9,H-V Nguyen23,PGiannozziet alA Otero-de-la-Roza24,L Paulatto4,S Poncé18,D Rocca25,26,R Sabatini27,B Santra6,M Schlipf18,A P Seitsonen28,29,A Smogunov30,I Timrov9,AdvancedcapabilitiesformaterialsmodellingwithQuantumESPRESSOT Thonha
