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  • BdG
  • BdG-Akai
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  • BdG_adaptive_integration
  • BdG_constraining
  • KKRIMP-BdG
  • KKRIMP-BdG-GPU
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  • KKRIMP-BdG-GPU-GDYSON
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  • kkrnano-dev2017
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Created with Raphaël 2.2.031Jul302926241917151110924Jun193May27Mar16Feb5Dec24Nov211631Oct1118Sep25Jul21181230Jun2928151497652131May301716151098543227Apr26252416151410Mar1Feb31Jan2524232019181716Dec1587529Nov23211716151484227Oct26251022Sep1217Aug228Jul27262521854130Jun21712May9526Apr85329Mar23221148Feb331Jan252110Dec62128Nov171615108543128Oct27262522211918141187654330Sep2823109818Aug10954321Jul121128May251811765428Apr26211914128129Mar261715121110943226Feb2523221931Jan27262521201918151318Dec1711843130Nov27261817161312109654330Oct2827232221209Add input to control number iterations before k-grid is updatedMake grid coarsening work for 2D k-point gridsAdd coarsening functionalityAdd rho2ns.dat writeout modeVersion with problem with different phases (19.07.2024)BdG_constrainingBdG_constrainingMerge branch 'BdG' into coarsen-k-intImprove SOC symmetry check for nonco anglesSmall improvements for bandstructure calculation with advanced options (LDA+U, Lloyd)Small bugfixFix computation of L-operator for Pkkprime and some refactoringAllow to read in kpoints without integration weight and some refactoringAdd 'read_kpoints' optionAdd missing CPP_NONPY preprocessor flagsSmall bugfixAdd <coarsen_kpts> option and implement writeout of k-integrandAdd 'write_rho_dat' input to be able to write out the density to theincrease dimensions to be prepared for higher lmaxprovide output of Ewald parametersMerge branch 'BdG' into KKRIMP-BdGMerge branch 'KKRIMP-BdG' into BdGAdd writeout of rho.dat filecorrected values for Etot in regtestsAdd dvec alaysis to transform gflle tool and bugfix qdos reorderingMerge branch 'BdG' into BdG_triplet_pairingunnecessary allocates removedRemove link to old wiki pagemastermasterChange reordering of qdos filesRemove wrong deactivation of k-point loopAdd KEEP_EPARA_1B runoption to deactivate switching to k-point parallelism in main1bSmall fix LDAU inputsSome refactoring for readabilitytest_utrafotest_utrafoMinor refactoringRemove compiler complaint about mkl vs qmkl flagFix typoFix u-trafo with BdG and refactor some filesBugfix opening file in first iterationAdd reading of shift positions and prepare support of SOCAdd reading of impurity shift vectorsFix rotation of moments in KKRimp code with BdGActivate PBE exchange correlation functionals for KKRimp