{"id":47467,"identifier":"JUELICH-DATA/WBIQAE","persistentUrl":"https://doi.org/10.26165/JUELICH-DATA/WBIQAE","protocol":"doi","authority":"10.26165","publisher":"Jülich DATA","publicationDate":"2026-04-01","storageIdentifier":"s3://10.26165/JUELICH-DATA/WBIQAE","datasetVersion":{"id":1189,"datasetId":47467,"datasetPersistentId":"doi:10.26165/JUELICH-DATA/WBIQAE","storageIdentifier":"s3://10.26165/JUELICH-DATA/WBIQAE","versionNumber":1,"versionMinorNumber":0,"versionState":"RELEASED","lastUpdateTime":"2026-04-01T08:14:41Z","releaseTime":"2026-04-01T08:14:41Z","createTime":"2026-03-03T01:36:33Z","license":"CC0","termsOfUse":"CC0 Waiver","fileAccessRequest":false,"metadataBlocks":{"citation":{"displayName":"Citation Metadata","fields":[{"typeName":"title","multiple":false,"typeClass":"primitive","value":"Replication Data for Implementation and application of a DFT+U+V approach within the all-electron FLAPW method"},{"typeName":"author","multiple":true,"typeClass":"compound","value":[{"authorName":{"typeName":"authorName","multiple":false,"typeClass":"primitive","value":"Beida, Wejdan"},"authorAffiliation":{"typeName":"authorAffiliation","multiple":false,"typeClass":"primitive","value":"PGI-1"},"authorIdentifierScheme":{"typeName":"authorIdentifierScheme","multiple":false,"typeClass":"controlledVocabulary","value":"ORCID"},"authorIdentifier":{"typeName":"authorIdentifier","multiple":false,"typeClass":"primitive","value":"0009-0009-3909-8619"}},{"authorName":{"typeName":"authorName","multiple":false,"typeClass":"primitive","value":"Gustav Bihlmayer"},"authorAffiliation":{"typeName":"authorAffiliation","multiple":false,"typeClass":"primitive","value":"PGI-1"},"authorIdentifierScheme":{"typeName":"authorIdentifierScheme","multiple":false,"typeClass":"controlledVocabulary","value":"ORCID"},"authorIdentifier":{"typeName":"authorIdentifier","multiple":false,"typeClass":"primitive","value":"0000-0002-6615-1122"}},{"authorName":{"typeName":"authorName","multiple":false,"typeClass":"primitive","value":"Christoph  Friedrich"},"authorAffiliation":{"typeName":"authorAffiliation","multiple":false,"typeClass":"primitive","value":"PGI-1"},"authorIdentifierScheme":{"typeName":"authorIdentifierScheme","multiple":false,"typeClass":"controlledVocabulary","value":"ORCID"},"authorIdentifier":{"typeName":"authorIdentifier","multiple":false,"typeClass":"primitive","value":"0000-0002-3315-7536"}},{"authorName":{"typeName":"authorName","multiple":false,"typeClass":"primitive","value":"Gregor Michalicek"},"authorAffiliation":{"typeName":"authorAffiliation","multiple":false,"typeClass":"primitive","value":"PGI-1"},"authorIdentifierScheme":{"typeName":"authorIdentifierScheme","multiple":false,"typeClass":"controlledVocabulary","value":"ORCID"},"authorIdentifier":{"typeName":"authorIdentifier","multiple":false,"typeClass":"primitive","value":"0000-0003-4719-188X"}},{"authorName":{"typeName":"authorName","multiple":false,"typeClass":"primitive","value":"Daniel Wortmann"},"authorAffiliation":{"typeName":"authorAffiliation","multiple":false,"typeClass":"primitive","value":"PGI-1"},"authorIdentifierScheme":{"typeName":"authorIdentifierScheme","multiple":false,"typeClass":"controlledVocabulary","value":"ORCID"},"authorIdentifier":{"typeName":"authorIdentifier","multiple":false,"typeClass":"primitive","value":"0000-0002-2248-1904"}},{"authorName":{"typeName":"authorName","multiple":false,"typeClass":"primitive","value":"Stefan Blügel"},"authorAffiliation":{"typeName":"authorAffiliation","multiple":false,"typeClass":"primitive","value":"PGI-1"},"authorIdentifierScheme":{"typeName":"authorIdentifierScheme","multiple":false,"typeClass":"controlledVocabulary","value":"ORCID"},"authorIdentifier":{"typeName":"authorIdentifier","multiple":false,"typeClass":"primitive","value":"0000-0001-9987-4733"}}]},{"typeName":"datasetContact","multiple":true,"typeClass":"compound","value":[{"datasetContactName":{"typeName":"datasetContactName","multiple":false,"typeClass":"primitive","value":"Beida, Wejdan"},"datasetContactAffiliation":{"typeName":"datasetContactAffiliation","multiple":false,"typeClass":"primitive","value":"PGI-1"},"datasetContactEmail":{"typeName":"datasetContactEmail","multiple":false,"typeClass":"primitive","value":"w.beida@fz-juelich.de"}}]},{"typeName":"dsDescription","multiple":true,"typeClass":"compound","value":[{"dsDescriptionValue":{"typeName":"dsDescriptionValue","multiple":false,"typeClass":"primitive","value":"This shared data contains the data generated and analyzed for the results presented in the manuscript. The data are organized according to the structure of the Results section of the paper. The repository is divided into four subdirectories, where each subdirectory corresponds to one section of the Results part of the manuscript. All data relevant to a specific section are collected in the respective directory. \r\nFor each studied system, we provide the out.xml files from the FLEUR calculations. In addition, we provide the numerical data used to generate the electronic structure figures presented in the manuscript. This includes the density of states (DOS) data and the band structure data points exactly as plotted in the paper. These data enable direct reproduction of the published figures. Furthermore, we include the output files from the SPEX code that were used to compute the cRPA interaction parameters and the GW results."},"dsDescriptionDate":{"typeName":"dsDescriptionDate","multiple":false,"typeClass":"primitive","value":"2026-03-03"}}]},{"typeName":"subject","multiple":true,"typeClass":"controlledVocabulary","value":["Physics"]},{"typeName":"keyword","multiple":true,"typeClass":"compound","value":[{"keywordValue":{"typeName":"keywordValue","multiple":false,"typeClass":"primitive","value":"Non-local, cRPA, Hubbard"}}]},{"typeName":"publication","multiple":true,"typeClass":"compound","value":[{"publicationCitation":{"typeName":"publicationCitation","multiple":false,"typeClass":"primitive","value":"https://arxiv.org/pdf/2511.08002"},"publicationIDType":{"typeName":"publicationIDType","multiple":false,"typeClass":"controlledVocabulary","value":"arXiv"},"publicationIDNumber":{"typeName":"publicationIDNumber","multiple":false,"typeClass":"primitive","value":"2511.08002"},"publicationURL":{"typeName":"publicationURL","multiple":false,"typeClass":"primitive","value":"https://arxiv.org/pdf/2511.08002"}}]},{"typeName":"depositor","multiple":false,"typeClass":"primitive","value":"Beida, Wejdan"},{"typeName":"dateOfDeposit","multiple":false,"typeClass":"primitive","value":"2026-03-03"}]},"fzj":{"displayName":"FZJ Metadata","fields":[{"typeName":"institute","multiple":true,"typeClass":"controlledVocabulary","value":["PGI-1"]},{"typeName":"pof4","multiple":true,"typeClass":"controlledVocabulary","value":["Topological Matter (POF4-5211)"]}]}},"files":[{"label":"banddos_dftUV_fit.hdf","restricted":false,"version":1,"datasetVersionId":1189,"dataFile":{"id":47498,"persistentId":"","pidURL":"","filename":"banddos_dftUV_fit.hdf","contentType":"application/x-hdf","filesize":2348680,"storageIdentifier":"s3://juelich_data:19cb1528494-d43a63796d2d","rootDataFileId":-1,"checksum":{"type":"SHA-256","value":"1fa5bcba6ae005b892305d6e63c3e30a312729879142ad951f9a80302465e28c"},"creationDate":"2026-03-03"}},{"label":"dft_bandstructure.1","restricted":false,"version":1,"datasetVersionId":1189,"dataFile":{"id":47478,"persistentId":"","pidURL":"","filename":"dft_bandstructure.1","contentType":"application/octet-stream","filesize":545621,"storageIdentifier":"s3://juelich_data:19cb152e0ea-5e94fb1f8aa0","rootDataFileId":-1,"checksum":{"type":"SHA-256","value":"a74c60af5b53c85336885f4b33acb84b4b01953fbd793262acf69d9a3867db5a"},"creationDate":"2026-03-03"}},{"label":"DFT_bandstructure.1","restricted":false,"version":1,"datasetVersionId":1189,"dataFile":{"id":47488,"persistentId":"","pidURL":"","filename":"DFT_bandstructure.1","contentType":"application/octet-stream","filesize":930029,"storageIdentifier":"s3://juelich_data:19cb152654c-5219d394e5f6","rootDataFileId":-1,"checksum":{"type":"SHA-256","value":"a58993b78d2980875a461d7a01ebee9c3c6142878fe1690f54c77a9321c9ef09"},"creationDate":"2026-03-03"}},{"label":"dft_bandstucture.1","restricted":false,"version":1,"datasetVersionId":1189,"dataFile":{"id":47485,"persistentId":"","pidURL":"","filename":"dft_bandstucture.1","contentType":"application/octet-stream","filesize":496019,"storageIdentifier":"s3://juelich_data:19cb1526fe1-d079c720ff61","rootDataFileId":-1,"checksum":{"type":"SHA-256","value":"724f99d36b1031b21facb74f9a75050a4e2886527f34e32ac339d14d590df104"},"creationDate":"2026-03-03"}},{"label":"dftUV_fitgw_bandstructure.1","restricted":false,"version":1,"datasetVersionId":1189,"dataFile":{"id":47520,"persistentId":"","pidURL":"","filename":"dftUV_fitgw_bandstructure.1","contentType":"application/octet-stream","filesize":620024,"storageIdentifier":"s3://juelich_data:19cb152a88b-e8f8f351b0b9","rootDataFileId":-1,"checksum":{"type":"SHA-256","value":"a437fcd44a420ae9c0f5a4bf41dea78b149f3faa905588409d81cb41732e8912"},"creationDate":"2026-03-03"}},{"label":"dftUV_ucRPA_bandstructure.1","restricted":false,"version":1,"datasetVersionId":1189,"dataFile":{"id":47472,"persistentId":"","pidURL":"","filename":"dftUV_ucRPA_bandstructure.1","contentType":"application/octet-stream","filesize":620024,"storageIdentifier":"s3://juelich_data:19cb1526174-71b1418232f6","rootDataFileId":-1,"checksum":{"type":"SHA-256","value":"2a43c4ea9f080a77a159d2dc777fb3a13e3338187ad883f098581d0dc27a3872"},"creationDate":"2026-03-03"}},{"label":"dftUV_ucrpa_bandstucture.1","restricted":false,"version":1,"datasetVersionId":1189,"dataFile":{"id":47482,"persistentId":"","pidURL":"","filename":"dftUV_ucrpa_bandstucture.1","contentType":"application/octet-stream","filesize":620023,"storageIdentifier":"s3://juelich_data:19cb1526a41-0f883b03ec7e","rootDataFileId":-1,"checksum":{"type":"SHA-256","value":"f2b33b9c5bc92435aa91536dc373eaee9337d3d2125322019f55f7f2bb4b3a1f"},"creationDate":"2026-03-03"}},{"label":"dftUV_wcrpa_bandstucture.1","restricted":false,"version":1,"datasetVersionId":1189,"dataFile":{"id":47492,"persistentId":"","pidURL":"","filename":"dftUV_wcrpa_bandstucture.1","contentType":"application/octet-stream","filesize":744022,"storageIdentifier":"s3://juelich_data:19cb15278e2-af0328b7033f","rootDataFileId":-1,"checksum":{"type":"SHA-256","value":"906062d3d612c452aa76a1fe711e8e6823d185539c19fcaf435d90ddb6378ee5"},"creationDate":"2026-03-03"}},{"label":"dftUV_wcRPA_bandstucture.1","restricted":false,"version":1,"datasetVersionId":1189,"dataFile":{"id":47510,"persistentId":"","pidURL":"","filename":"dftUV_wcRPA_bandstucture.1","contentType":"application/octet-stream","filesize":620024,"storageIdentifier":"s3://juelich_data:19cb1524efd-17a7c60ef7a6","rootDataFileId":-1,"checksum":{"type":"SHA-256","value":"9319d69211af32a1e6df3f4e9fb3eb13841c1d04bdfa74fefde823b325e62050"},"creationDate":"2026-03-03"}},{"label":"dos_dftU_u_d.1","restricted":false,"version":1,"datasetVersionId":1189,"dataFile":{"id":47469,"persistentId":"","pidURL":"","filename":"dos_dftU_u_d.1","contentType":"application/octet-stream","filesize":555241,"storageIdentifier":"s3://juelich_data:19cb1564f08-aaf16a3bb14b","rootDataFileId":-1,"checksum":{"type":"SHA-256","value":"30c5f079885c2f04d6c6b996251403277ee3b9187d725cdcdc37d3697534b8c8"},"creationDate":"2026-03-03"}},{"label":"dos_dftU_u_dp.1","restricted":false,"version":1,"datasetVersionId":1189,"dataFile":{"id":47471,"persistentId":"","pidURL":"","filename":"dos_dftU_u_dp.1","contentType":"application/octet-stream","filesize":555241,"storageIdentifier":"s3://juelich_data:19cb155a0fb-8844590aa022","rootDataFileId":-1,"checksum":{"type":"SHA-256","value":"a26883224f219568fd734db7acbb2f9cc25b34efca2034b3e536db9d2c2e6396"},"creationDate":"2026-03-03"}},{"label":"dos_dftUV_u.1","restricted":false,"version":1,"datasetVersionId":1189,"dataFile":{"id":47474,"persistentId":"","pidURL":"","filename":"dos_dftUV_u.1","contentType":"application/octet-stream","filesize":555241,"storageIdentifier":"s3://juelich_data:19cb1564c45-0ab227309125","rootDataFileId":-1,"checksum":{"type":"SHA-256","value":"553caa13f82b9e4be6c51bccf104dcdb8ac57fcbc49a2dd910500854914a362e"},"creationDate":"2026-03-03"}},{"label":"dos_dftUV_w.1","restricted":false,"version":1,"datasetVersionId":1189,"dataFile":{"id":47493,"persistentId":"","pidURL":"","filename":"dos_dftUV_w.1","contentType":"application/octet-stream","filesize":555241,"storageIdentifier":"s3://juelich_data:19cb1544ab7-d6eca35f9488","rootDataFileId":-1,"checksum":{"type":"SHA-256","value":"a851bee0082b3b853ef4fedef8504bc4ea422dccb4c851b9eb695f5a04c4408e"},"creationDate":"2026-03-03"}},{"label":"dos_dftU_w_dp.1","restricted":false,"version":1,"datasetVersionId":1189,"dataFile":{"id":47473,"persistentId":"","pidURL":"","filename":"dos_dftU_w_dp.1","contentType":"application/octet-stream","filesize":555241,"storageIdentifier":"s3://juelich_data:19cb15447b7-12f4de36ca91","rootDataFileId":-1,"checksum":{"type":"SHA-256","value":"0ce72251b8aca34a3eb7ee08bf6212ada9bc56a611266e8424ab12bb9f44ea00"},"creationDate":"2026-03-03"}},{"label":"out_dft-1.xml","restricted":false,"version":1,"datasetVersionId":1189,"dataFile":{"id":47519,"persistentId":"","pidURL":"","filename":"out_dft-1.xml","contentType":"text/xml","filesize":402519,"storageIdentifier":"s3://juelich_data:19cb1528e66-61792b56658d","rootDataFileId":-1,"checksum":{"type":"SHA-256","value":"fb2ab74a98ed16d2cb8e62cdc2ab34f4b3b3b9803e5b712e9562af3fed68f7a8"},"creationDate":"2026-03-03"}},{"label":"out_dft-2.xml","restricted":false,"version":1,"datasetVersionId":1189,"dataFile":{"id":47518,"persistentId":"","pidURL":"","filename":"out_dft-2.xml","contentType":"text/xml","filesize":24880135,"storageIdentifier":"s3://juelich_data:19cb152f9f4-bf5725b8b481","rootDataFileId":-1,"checksum":{"type":"SHA-256","value":"87b854cb9d08ffa9c4e8198c9fa05f3acb347f2dfe69d5605f35f623324a0e54"},"creationDate":"2026-03-03"}},{"label":"out_dftU_05_AFM1.xml","restricted":false,"version":1,"datasetVersionId":1189,"dataFile":{"id":47500,"persistentId":"","pidURL":"","filename":"out_dftU_05_AFM1.xml","contentType":"text/xml","filesize":4324226,"storageIdentifier":"s3://juelich_data:19cb155453e-77a1ad339136","rootDataFileId":-1,"checksum":{"type":"SHA-256","value":"25b5a3edeb7ac8556447e84433b95453733bd1cea0d8efdb484c0b0522a979e9"},"creationDate":"2026-03-03"}},{"label":"out_dftU_05_AFM2.xml","restricted":false,"version":1,"datasetVersionId":1189,"dataFile":{"id":47480,"persistentId":"","pidURL":"","filename":"out_dftU_05_AFM2.xml","contentType":"text/xml","filesize":40644061,"storageIdentifier":"s3://juelich_data:19cb1547889-4286ec54c718","rootDataFileId":-1,"checksum":{"type":"SHA-256","value":"3e8f9bf2d46e7e585f2cec4d6aabb57cfa02ea201fc2548c68910d59e1ba8d22"},"creationDate":"2026-03-03"}},{"label":"out_dftU_05_FM.xml","restricted":false,"version":1,"datasetVersionId":1189,"dataFile":{"id":47481,"persistentId":"","pidURL":"","filename":"out_dftU_05_FM.xml","contentType":"text/xml","filesize":55123062,"storageIdentifier":"s3://juelich_data:19cb1553ce4-e6ae525a92ce","rootDataFileId":-1,"checksum":{"type":"SHA-256","value":"d4cbe37970e944c9504b2747abf8626801e7f229b1ab367e34f240ba3e32439c"},"creationDate":"2026-03-03"}},{"label":"out_dftU_5_Vdp_1_AFM2.xml","restricted":false,"version":1,"datasetVersionId":1189,"dataFile":{"id":47504,"persistentId":"","pidURL":"","filename":"out_dftU_5_Vdp_1_AFM2.xml","contentType":"text/xml","filesize":53521611,"storageIdentifier":"s3://juelich_data:19cb1559bd1-810da374ca93","rootDataFileId":-1,"checksum":{"type":"SHA-256","value":"7c2b5f809a6bbe04063014149040efd5876468341cec1180b9cff5edfc6bbf55"},"creationDate":"2026-03-03"}},{"label":"out_dftU_5_Vdp_1_FM.xml","restricted":false,"version":1,"datasetVersionId":1189,"dataFile":{"id":47496,"persistentId":"","pidURL":"","filename":"out_dftU_5_Vdp_1_FM.xml","contentType":"text/xml","filesize":43868100,"storageIdentifier":"s3://juelich_data:19cb1556b41-c301fc9a0ddc","rootDataFileId":-1,"checksum":{"type":"SHA-256","value":"87eb8c0f720b1454bbdf6f7065ad5b679312bb6dfa6476dfa00a4b28d2280f96"},"creationDate":"2026-03-03"}},{"label":"out_dftU_onlyNi_u.xml","restricted":false,"version":1,"datasetVersionId":1189,"dataFile":{"id":47476,"persistentId":"","pidURL":"","filename":"out_dftU_onlyNi_u.xml","contentType":"text/xml","filesize":91473680,"storageIdentifier":"s3://juelich_data:19cb15441c9-37230cd830b5","rootDataFileId":-1,"checksum":{"type":"SHA-256","value":"1560c85d9c5147e2037fea7a4defdf5806df42f8f57ff2884fee3f0ee4cae429"},"creationDate":"2026-03-03"}},{"label":"out_dftU_u-1.xml","restricted":false,"version":1,"datasetVersionId":1189,"dataFile":{"id":47511,"persistentId":"","pidURL":"","filename":"out_dftU_u-1.xml","contentType":"text/xml","filesize":7909363,"storageIdentifier":"s3://juelich_data:19cb152d9f9-fa2cb707c732","rootDataFileId":-1,"checksum":{"type":"SHA-256","value":"1f932348fa228e1ddc8a8f777f996fb281acbdbbbe60c318901b9047c1680b7e"},"creationDate":"2026-03-03"}},{"label":"out_dftU_ucRPA.xml","restricted":false,"version":1,"datasetVersionId":1189,"dataFile":{"id":47484,"persistentId":"","pidURL":"","filename":"out_dftU_ucRPA.xml","contentType":"text/xml","filesize":91508020,"storageIdentifier":"s3://juelich_data:19cb155efd8-49a935bc26cc","rootDataFileId":-1,"checksum":{"type":"SHA-256","value":"733b34d3df3d5328bc3af16e1eb15db75179d7ec2f3c9344e42e54332e83cf92"},"creationDate":"2026-03-03"}},{"label":"out_dftU_u.xml","restricted":false,"version":1,"datasetVersionId":1189,"dataFile":{"id":47516,"persistentId":"","pidURL":"","filename":"out_dftU_u.xml","contentType":"text/xml","filesize":3436207,"storageIdentifier":"s3://juelich_data:19cb1525eeb-21aa580d0d60","rootDataFileId":-1,"checksum":{"type":"SHA-256","value":"05d5b572e1d91216e771c3b92fb97af449a4bdaffa7919f65e5bb2b5c69704f7"},"creationDate":"2026-03-03"}},{"label":"out_dftUV_NNN_u-1.xml","restricted":false,"version":1,"datasetVersionId":1189,"dataFile":{"id":47505,"persistentId":"","pidURL":"","filename":"out_dftUV_NNN_u-1.xml","contentType":"text/xml","filesize":9836871,"storageIdentifier":"s3://juelich_data:19cb152a3de-bb04251c6224","rootDataFileId":-1,"checksum":{"type":"SHA-256","value":"edb7e13210af88de720adf12ebe0667a364caa5a5a4879fc0423215bdebb1d32"},"creationDate":"2026-03-03"}},{"label":"out_dftUV_NNN_u.xml","restricted":false,"version":1,"datasetVersionId":1189,"dataFile":{"id":47508,"persistentId":"","pidURL":"","filename":"out_dftUV_NNN_u.xml","contentType":"text/xml","filesize":3899549,"storageIdentifier":"s3://juelich_data:19cb1523a0d-a09e14c9fab4","rootDataFileId":-1,"checksum":{"type":"SHA-256","value":"c9f28f699942b1c3fe549fd3bcda3257cb97feaede93a952d1ac922be05fc262"},"creationDate":"2026-03-03"}},{"label":"out_dftUV_NNN_w-1.xml","restricted":false,"version":1,"datasetVersionId":1189,"dataFile":{"id":47483,"persistentId":"","pidURL":"","filename":"out_dftUV_NNN_w-1.xml","contentType":"text/xml","filesize":9357989,"storageIdentifier":"s3://juelich_data:19cb15298a8-c6c9fff25a53","rootDataFileId":-1,"checksum":{"type":"SHA-256","value":"d5df24985fddc5b57be0b69db4399352b4921533a26b7efcfe3c0c5060e20a29"},"creationDate":"2026-03-03"}},{"label":"out_dftUV_NNN_w.xml","restricted":false,"version":1,"datasetVersionId":1189,"dataFile":{"id":47509,"persistentId":"","pidURL":"","filename":"out_dftUV_NNN_w.xml","contentType":"text/xml","filesize":3448331,"storageIdentifier":"s3://juelich_data:19cb15230e0-dec3ac5f1988","rootDataFileId":-1,"checksum":{"type":"SHA-256","value":"917ea3da513f2eb3551c99488a32bea1154540bab9528e3d93b34fb041e16698"},"creationDate":"2026-03-03"}},{"label":"out_dftUV_ref3-1.xml","restricted":false,"version":1,"datasetVersionId":1189,"dataFile":{"id":47503,"persistentId":"","pidURL":"","filename":"out_dftUV_ref3-1.xml","contentType":"text/xml","filesize":38467784,"storageIdentifier":"s3://juelich_data:19cb153ab9c-c51160e5d699","rootDataFileId":-1,"checksum":{"type":"SHA-256","value":"0e2e1dc0f92f32dca055152c7e91705e95b777b7ceb0336686e9f60695b64da6"},"creationDate":"2026-03-03"}},{"label":"out_dftUV_ref3.xml","restricted":false,"version":1,"datasetVersionId":1189,"dataFile":{"id":47507,"persistentId":"","pidURL":"","filename":"out_dftUV_ref3.xml","contentType":"text/xml","filesize":2988685,"storageIdentifier":"s3://juelich_data:19cb15240a6-1c40d993a778","rootDataFileId":-1,"checksum":{"type":"SHA-256","value":"44047e74b3e6310d140717a206a50cb748ea8558b4c4d40080422389656abcee"},"creationDate":"2026-03-03"}},{"label":"out_dftUV_u-1.xml","restricted":false,"version":1,"datasetVersionId":1189,"dataFile":{"id":47491,"persistentId":"","pidURL":"","filename":"out_dftUV_u-1.xml","contentType":"text/xml","filesize":3925634,"storageIdentifier":"s3://juelich_data:19cb15275d0-a49d0304974c","rootDataFileId":-1,"checksum":{"type":"SHA-256","value":"09d03a2ddf22ae54d30bacfe13e7916002bdb628926f9ea5b7374cc1d819d462"},"creationDate":"2026-03-03"}},{"label":"out_dftUV_u-2.xml","restricted":false,"version":1,"datasetVersionId":1189,"dataFile":{"id":47512,"persistentId":"","pidURL":"","filename":"out_dftUV_u-2.xml","contentType":"text/xml","filesize":9349282,"storageIdentifier":"s3://juelich_data:19cb152b549-975c8b6d1c68","rootDataFileId":-1,"checksum":{"type":"SHA-256","value":"4758e441440510874d7f0919870b65cf54e34dc11fb60ff01d77bc8d4cbc6e70"},"creationDate":"2026-03-03"}},{"label":"out_dftUV_ucRPA.xml","restricted":false,"version":1,"datasetVersionId":1189,"dataFile":{"id":47470,"persistentId":"","pidURL":"","filename":"out_dftUV_ucRPA.xml","contentType":"text/xml","filesize":167284660,"storageIdentifier":"s3://juelich_data:19cb155072d-e7477ee3535c","rootDataFileId":-1,"checksum":{"type":"SHA-256","value":"af1f73f209cb82eeb5035bba61bb5bbe9e2a0aa18d0bc33d95c04361a8c4ed18"},"creationDate":"2026-03-03"}},{"label":"out_dftUV_u.xml","restricted":false,"version":1,"datasetVersionId":1189,"dataFile":{"id":47468,"persistentId":"","pidURL":"","filename":"out_dftUV_u.xml","contentType":"text/xml","filesize":3890856,"storageIdentifier":"s3://juelich_data:19cb1524c28-0e6a21652eb8","rootDataFileId":-1,"checksum":{"type":"SHA-256","value":"4d668bed3649bea03c788f7444a9d143743166312f16640c8667b0ed0f14df91"},"creationDate":"2026-03-03"}},{"label":"out_dftUV_w-1.xml","restricted":false,"version":1,"datasetVersionId":1189,"dataFile":{"id":47489,"persistentId":"","pidURL":"","filename":"out_dftUV_w-1.xml","contentType":"text/xml","filesize":3925607,"storageIdentifier":"s3://juelich_data:19cb1527ea3-7535e757edec","rootDataFileId":-1,"checksum":{"type":"SHA-256","value":"4babff877c2ae011d6b60914bac13620a354200bf67533b2a58d2314c3ce53ec"},"creationDate":"2026-03-03"}},{"label":"out_dftUV_w-2.xml","restricted":false,"version":1,"datasetVersionId":1189,"dataFile":{"id":47517,"persistentId":"","pidURL":"","filename":"out_dftUV_w-2.xml","contentType":"text/xml","filesize":9349235,"storageIdentifier":"s3://juelich_data:19cb152bfd9-06c618390d0a","rootDataFileId":-1,"checksum":{"type":"SHA-256","value":"be046a8885e54799b19bef2375e44ceb2a9bdcbffec84b586970ea2dfcde23ba"},"creationDate":"2026-03-03"}},{"label":"out_dftUV_wcRPA.xml","restricted":false,"version":1,"datasetVersionId":1189,"dataFile":{"id":47497,"persistentId":"","pidURL":"","filename":"out_dftUV_wcRPA.xml","contentType":"text/xml","filesize":159707836,"storageIdentifier":"s3://juelich_data:19cb153816a-1f5bce845a1c","rootDataFileId":-1,"checksum":{"type":"SHA-256","value":"ed97fe1ea12af45c39c73cae2355b1a70390d19019bbb1f08feb7c28161f1d97"},"creationDate":"2026-03-03"}},{"label":"out_dftUV_w.xml","restricted":false,"version":1,"datasetVersionId":1189,"dataFile":{"id":47514,"persistentId":"","pidURL":"","filename":"out_dftUV_w.xml","contentType":"text/xml","filesize":3439632,"storageIdentifier":"s3://juelich_data:19cb1525469-545d2c457ad4","rootDataFileId":-1,"checksum":{"type":"SHA-256","value":"095906707043176951ec9591514e1a7f123f82dd22c19550eb94d1410df11bb1"},"creationDate":"2026-03-03"}},{"label":"out_dftU_w-1.xml","restricted":false,"version":1,"datasetVersionId":1189,"dataFile":{"id":47515,"persistentId":"","pidURL":"","filename":"out_dftU_w-1.xml","contentType":"text/xml","filesize":6951685,"storageIdentifier":"s3://juelich_data:19cb152d0c5-1140df9a7317","rootDataFileId":-1,"checksum":{"type":"SHA-256","value":"1619aef10a9ffde3dd7d3c598849362149b34c1b4004bdb270f360e2db2de725"},"creationDate":"2026-03-03"}},{"label":"out_dftU_wcRPA.xml","restricted":false,"version":1,"datasetVersionId":1189,"dataFile":{"id":47506,"persistentId":"","pidURL":"","filename":"out_dftU_wcRPA.xml","contentType":"text/xml","filesize":91508022,"storageIdentifier":"s3://juelich_data:19cb1564484-c81aede910ad","rootDataFileId":-1,"checksum":{"type":"SHA-256","value":"931cc4091d5f9e938eaab865dd0774181c0b5a1fc334c51816939d8784f43d74"},"creationDate":"2026-03-03"}},{"label":"out_dftU_w.xml","restricted":false,"version":1,"datasetVersionId":1189,"dataFile":{"id":47477,"persistentId":"","pidURL":"","filename":"out_dftU_w.xml","contentType":"text/xml","filesize":3436237,"storageIdentifier":"s3://juelich_data:19cb15259d7-e1aed113be5c","rootDataFileId":-1,"checksum":{"type":"SHA-256","value":"b748d2c79b1100bbd13919f1fb4f47272c672535dbd5fe6824ddea1cb6a4e38c"},"creationDate":"2026-03-03"}},{"label":"out_dft.xml","restricted":false,"version":1,"datasetVersionId":1189,"dataFile":{"id":47475,"persistentId":"","pidURL":"","filename":"out_dft.xml","contentType":"text/xml","filesize":281205,"storageIdentifier":"s3://juelich_data:19cb1522b4b-c98e3f5a004f","rootDataFileId":-1,"checksum":{"type":"SHA-256","value":"26c9a29f95c10d0296f8cf49d4bd3ce36e4eccda0a29e684a85bffa94457f6bd"},"creationDate":"2026-03-03"}},{"label":"README.txt","restricted":false,"version":1,"datasetVersionId":1189,"dataFile":{"id":47487,"persistentId":"","pidURL":"","filename":"README.txt","contentType":"text/plain","filesize":1657,"storageIdentifier":"s3://juelich_data:19cb15650ff-15317aef895b","rootDataFileId":-1,"checksum":{"type":"SHA-256","value":"c08ca9fd6f98d48bb6b8c019b88c796df6814e144167f9e8f34ce21ac1b71122"},"creationDate":"2026-03-03"}},{"label":"spex_cRPA_u-1.out","restricted":false,"version":1,"datasetVersionId":1189,"dataFile":{"id":47501,"persistentId":"","pidURL":"","filename":"spex_cRPA_u-1.out","contentType":"application/octet-stream","filesize":250123,"storageIdentifier":"s3://juelich_data:19cb155f584-ba2383e8dfef","rootDataFileId":-1,"checksum":{"type":"SHA-256","value":"890c725366f5a536913b9e586926b50918bebeee297f2c4dc4df32badb03e64f"},"creationDate":"2026-03-03"}},{"label":"spex_cRPA_u.out","restricted":false,"version":1,"datasetVersionId":1189,"dataFile":{"id":47490,"persistentId":"","pidURL":"","filename":"spex_cRPA_u.out","contentType":"application/octet-stream","filesize":117842,"storageIdentifier":"s3://juelich_data:19cb1528710-aae3c03c8ec9","rootDataFileId":-1,"checksum":{"type":"SHA-256","value":"704aab29fb23df78cafba2b689a84dd0ef296cd9a32de4ae3055a7cd189eb114"},"creationDate":"2026-03-03"}},{"label":"spex_cRPA_w-1.out","restricted":false,"version":1,"datasetVersionId":1189,"dataFile":{"id":47479,"persistentId":"","pidURL":"","filename":"spex_cRPA_w-1.out","contentType":"application/octet-stream","filesize":433614,"storageIdentifier":"s3://juelich_data:19cb156499e-18190df71452","rootDataFileId":-1,"checksum":{"type":"SHA-256","value":"47edfad20f791379e14eb2181cfd13e8c887a3f63e6c1775c5ad51284af2ed56"},"creationDate":"2026-03-03"}},{"label":"spex_cRPA_w.out","restricted":false,"version":1,"datasetVersionId":1189,"dataFile":{"id":47502,"persistentId":"","pidURL":"","filename":"spex_cRPA_w.out","contentType":"application/octet-stream","filesize":152968,"storageIdentifier":"s3://juelich_data:19cb152896a-4c6933647ca0","rootDataFileId":-1,"checksum":{"type":"SHA-256","value":"b2adefb02b925a48ccd05a97fe0fe8bd932d9049946007e89f651aaad5fa8b3e"},"creationDate":"2026-03-03"}},{"label":"spex_GW.out","restricted":false,"version":1,"datasetVersionId":1189,"dataFile":{"id":47494,"persistentId":"","pidURL":"","filename":"spex_GW.out","contentType":"application/octet-stream","filesize":581746,"storageIdentifier":"s3://juelich_data:19cb1526ce7-8d1cc9ea9002","rootDataFileId":-1,"checksum":{"type":"SHA-256","value":"cc5a61a1f128f82a55afe781adcfaa289182b507410be51fd7909aac9753bbe6"},"creationDate":"2026-03-03"}},{"label":"spex_ucRPA-1.out","restricted":false,"version":1,"datasetVersionId":1189,"dataFile":{"id":47499,"persistentId":"","pidURL":"","filename":"spex_ucRPA-1.out","contentType":"application/octet-stream","filesize":38672,"storageIdentifier":"s3://juelich_data:19cb152a639-f188433eadc7","rootDataFileId":-1,"checksum":{"type":"SHA-256","value":"8dece3385c0cfc94ac754b380db9b91ae24eacef4ced7a63d9272b1728285322"},"creationDate":"2026-03-03"}},{"label":"spex_ucRPA.out","restricted":false,"version":1,"datasetVersionId":1189,"dataFile":{"id":47495,"persistentId":"","pidURL":"","filename":"spex_ucRPA.out","contentType":"application/octet-stream","filesize":61050,"storageIdentifier":"s3://juelich_data:19cb152435a-4ff90d28acd0","rootDataFileId":-1,"checksum":{"type":"SHA-256","value":"a5f83d4f7d5e84b4c815acf1f4fe86b9ae8482528199aa0864461b39d1b3ba97"},"creationDate":"2026-03-03"}},{"label":"spex_wcRPA-1.out","restricted":false,"version":1,"datasetVersionId":1189,"dataFile":{"id":47486,"persistentId":"","pidURL":"","filename":"spex_wcRPA-1.out","contentType":"application/octet-stream","filesize":108291,"storageIdentifier":"s3://juelich_data:19cb152ab14-5bd120774e6a","rootDataFileId":-1,"checksum":{"type":"SHA-256","value":"72518d05e5870299627c246a195026e43b7b38bffa2e202085c2a5fa6d3d7967"},"creationDate":"2026-03-03"}},{"label":"spex_wcRPA.out","restricted":false,"version":1,"datasetVersionId":1189,"dataFile":{"id":47513,"persistentId":"","pidURL":"","filename":"spex_wcRPA.out","contentType":"application/octet-stream","filesize":110992,"storageIdentifier":"s3://juelich_data:19cb1524673-3eb4f36a7994","rootDataFileId":-1,"checksum":{"type":"SHA-256","value":"f523d54193dc17fd301a11cd53da406d8036dcc4aa3ddfeb7b95690733abbf10"},"creationDate":"2026-03-03"}}],"citation":"Beida, Wejdan; Gustav Bihlmayer; Christoph Friedrich; Gregor Michalicek; Daniel Wortmann; Stefan Blügel, 2026, \"Replication Data for Implementation and application of a DFT+U+V approach within the all-electron FLAPW method\", https://doi.org/10.26165/JUELICH-DATA/WBIQAE, Jülich DATA, V1"}}