INSTALL
MANIFEST.in
README.md
license.txt
setup.py
BGWpy/__init__.py
BGWpy.egg-info/PKG-INFO
BGWpy.egg-info/SOURCES.txt
BGWpy.egg-info/dependency_links.txt
BGWpy.egg-info/requires.txt
BGWpy.egg-info/top_level.txt
BGWpy/Abinit/__init__.py
BGWpy/Abinit/abibgw.py
BGWpy/Abinit/abidata.py
BGWpy/Abinit/abinitbgwflow.py
BGWpy/Abinit/abinitinput.py
BGWpy/Abinit/abinittask.py
BGWpy/Abinit/constructor.py
BGWpy/Abinit/scftask.py
BGWpy/Abinit/utils.py
BGWpy/Abinit/variable.py
BGWpy/Abinit/wfntask.py
BGWpy/BGW/__init__.py
BGWpy/BGW/absorptiontask.py
BGWpy/BGW/bgwtask.py
BGWpy/BGW/epsilontask.py
BGWpy/BGW/inputs.py
BGWpy/BGW/inteqptask.py
BGWpy/BGW/kerneltask.py
BGWpy/BGW/kgrid.py
BGWpy/BGW/sigmatask.py
BGWpy/BGW/vmtxeltask.py
BGWpy/DFT/__init__.py
BGWpy/DFT/dfttask.py
BGWpy/DFT/flows.py
BGWpy/DFT/wfnbgwflow.py
BGWpy/DFT/wfntask.py
BGWpy/QE/__init__.py
BGWpy/QE/constructor.py
BGWpy/QE/pwscfinput.py
BGWpy/QE/qebgwflow.py
BGWpy/QE/qebgwtask.py
BGWpy/QE/qetask.py
BGWpy/QE/scftask.py
BGWpy/QE/wfntask.py
BGWpy/Wannier90/__init__.py
BGWpy/Wannier90/pw2wan.py
BGWpy/Wannier90/sig2wan.py
BGWpy/Wannier90/wannier90.py
BGWpy/config/__init__.py
BGWpy/config/default_configuration.py
BGWpy/config/dft_flavors.py
BGWpy/core/F90io.py
BGWpy/core/__init__.py
BGWpy/core/runscript.py
BGWpy/core/task.py
BGWpy/core/util.py
BGWpy/core/workflow.py
BGWpy/core/writable.py
BGWpy/core/tests/__init__.py
BGWpy/core/tests/test_mpitask.py
BGWpy/core/tests/test_task.py
BGWpy/core/tests/test_writable.py
BGWpy/data/__init__.py
BGWpy/data/pseudos/14-Si.pspnc
BGWpy/data/pseudos/31-Ga.PBE.UPF
BGWpy/data/pseudos/33-As.PBE.UPF
BGWpy/data/pseudos/Si.UPF
BGWpy/data/pseudos/__init__.py
BGWpy/data/structures/GaAs.cif
BGWpy/data/structures/GaAs.json
BGWpy/data/structures/Si.cif
BGWpy/data/structures/Si.json
BGWpy/data/structures/__init__.py
BGWpy/data/structures/write-GaAs-structure.py
BGWpy/data/structures/write-Si-structure.py
BGWpy/external/__init__.py
BGWpy/external/xmltodict.py
BGWpy/extractors/__init__.py
BGWpy/extractors/eigenvalues.py
BGWpy/extractors/gw.py
BGWpy/extractors/inteqp.py
BGWpy/flows/__init__.py
BGWpy/flows/bseflow.py
BGWpy/flows/gwflow.py
BGWpy/flows/vmtxelflow.py
BGWpy/scripts/BGWpy_make_config_file.py
BGWpy/scripts/__init__.py
BGWpy/tests/__init__.py
BGWpy/tests/test_Abinit_flow.py
BGWpy/tests/test_BGW_sigma.py
BGWpy/tests/test_BGW_tasks.py
BGWpy/tests/test_QE_tasks.py
BGWpy/tests/test_flows.py
Examples/Abinit/Advanced/a01-wavefunctions.py
Examples/Abinit/Advanced/a11-Workflow-GW.py
Examples/Abinit/Advanced/Reference/01-Wavefunctions/Density/GaAs.files
Examples/Abinit/Advanced/Reference/01-Wavefunctions/Density/GaAs.in
Examples/Abinit/Advanced/Reference/01-Wavefunctions/Density/GaAs.out
Examples/Abinit/Advanced/Reference/01-Wavefunctions/Density/run.sh
Examples/Abinit/Advanced/Reference/01-Wavefunctions/Wavefunctions/GaAs.files
Examples/Abinit/Advanced/Reference/01-Wavefunctions/Wavefunctions/GaAs.in
Examples/Abinit/Advanced/Reference/01-Wavefunctions/Wavefunctions/GaAs.out
Examples/Abinit/Advanced/Reference/01-Wavefunctions/Wavefunctions/abi2bgw.in
Examples/Abinit/Advanced/Reference/01-Wavefunctions/Wavefunctions/abi2bgw.out
Examples/Abinit/Advanced/Reference/01-Wavefunctions/Wavefunctions/abi2bgw.run.sh
Examples/Abinit/Advanced/Reference/01-Wavefunctions/Wavefunctions/run.sh
Examples/Abinit/Advanced/Reference/11-Workflow/run.sh
Examples/Abinit/Advanced/Reference/11-Workflow/density/GaAs.files
Examples/Abinit/Advanced/Reference/11-Workflow/density/GaAs.in
Examples/Abinit/Advanced/Reference/11-Workflow/density/GaAs.out
Examples/Abinit/Advanced/Reference/11-Workflow/density/run.sh
Examples/Abinit/Advanced/Reference/11-Workflow/epsilon/epsilon.out
Examples/Abinit/Advanced/Reference/11-Workflow/epsilon/run.sh
Examples/Abinit/Advanced/Reference/11-Workflow/sigma/run.sh
Examples/Abinit/Advanced/Reference/11-Workflow/sigma/sigma.out
Examples/Abinit/Advanced/Reference/11-Workflow/wfn/GaAs.files
Examples/Abinit/Advanced/Reference/11-Workflow/wfn/GaAs.in
Examples/Abinit/Advanced/Reference/11-Workflow/wfn/GaAs.out
Examples/Abinit/Advanced/Reference/11-Workflow/wfn/abi2bgw.in
Examples/Abinit/Advanced/Reference/11-Workflow/wfn/abi2bgw.out
Examples/Abinit/Advanced/Reference/11-Workflow/wfn/abi2bgw.run.sh
Examples/Abinit/Advanced/Reference/11-Workflow/wfn/run.sh
Examples/Abinit/Advanced/Reference/11-Workflow/wfn_co/GaAs.files
Examples/Abinit/Advanced/Reference/11-Workflow/wfn_co/GaAs.in
Examples/Abinit/Advanced/Reference/11-Workflow/wfn_co/GaAs.out
Examples/Abinit/Advanced/Reference/11-Workflow/wfn_co/abi2bgw.in
Examples/Abinit/Advanced/Reference/11-Workflow/wfn_co/abi2bgw.out
Examples/Abinit/Advanced/Reference/11-Workflow/wfn_co/abi2bgw.run.sh
Examples/Abinit/Advanced/Reference/11-Workflow/wfn_co/run.sh
Examples/Abinit/Advanced/Reference/11-Workflow/wfnq/GaAs.files
Examples/Abinit/Advanced/Reference/11-Workflow/wfnq/GaAs.in
Examples/Abinit/Advanced/Reference/11-Workflow/wfnq/GaAs.out
Examples/Abinit/Advanced/Reference/11-Workflow/wfnq/abi2bgw.in
Examples/Abinit/Advanced/Reference/11-Workflow/wfnq/abi2bgw.out
Examples/Abinit/Advanced/Reference/11-Workflow/wfnq/abi2bgw.run.sh
Examples/Abinit/Advanced/Reference/11-Workflow/wfnq/run.sh
Examples/Abinit/Tutorial/t11-Density.py
Examples/Abinit/Tutorial/t12-Wfn.py
Examples/Abinit/Tutorial/t13-Wfnq.py
Examples/Abinit/Tutorial/t14-Wfn_co.py
Examples/Abinit/Tutorial/t15-Wfn_fi.py
Examples/Abinit/Tutorial/t16-Wfnq_fi.py
Examples/Abinit/Tutorial/t21-Epsilon.py
Examples/Abinit/Tutorial/t22-Sigma.py
Examples/Abinit/Tutorial/t23-Kernel.py
Examples/Abinit/Tutorial/t24-Absorption.py
Examples/Abinit/Tutorial/t32-GW.py
Examples/Abinit/Tutorial/t33-BSE.py
Examples/Abinit/Tutorial/11-Density/GaAs.files
Examples/Abinit/Tutorial/11-Density/GaAs.in
Examples/Abinit/Tutorial/11-Density/GaAs.log
Examples/Abinit/Tutorial/11-Density/GaAs.out
Examples/Abinit/Tutorial/11-Density/GaAs.out0001
Examples/Abinit/Tutorial/11-Density/GaAs.out0002
Examples/Abinit/Tutorial/11-Density/GaAs.out0003
Examples/Abinit/Tutorial/11-Density/GaAs.out0004
Examples/Abinit/Tutorial/11-Density/GaAs.out0005
Examples/Abinit/Tutorial/11-Density/run.sh
Examples/Abinit/Tutorial/11-Density/out_data/odat_DDB
Examples/Abinit/Tutorial/11-Density/out_data/odat_DEN
Examples/Abinit/Tutorial/11-Density/out_data/odat_EBANDS.agr
Examples/Abinit/Tutorial/11-Density/out_data/odat_EIG
Examples/Abinit/Tutorial/11-Density/out_data/odat_EIG.nc
Examples/Abinit/Tutorial/11-Density/out_data/odat_GSR.nc
Examples/Abinit/Tutorial/11-Density/out_data/odat_OUT.nc
Examples/Abinit/Tutorial/11-Density/out_data/odat_VXC
Examples/Abinit/Tutorial/11-Density/out_data/odat_WFK
Examples/Abinit/Tutorial/12-Wfn/GaAs.files
Examples/Abinit/Tutorial/12-Wfn/GaAs.in
Examples/Abinit/Tutorial/12-Wfn/GaAs.log
Examples/Abinit/Tutorial/12-Wfn/GaAs.out
Examples/Abinit/Tutorial/12-Wfn/GaAs.out0001
Examples/Abinit/Tutorial/12-Wfn/GaAs.out0002
Examples/Abinit/Tutorial/12-Wfn/GaAs.out0003
Examples/Abinit/Tutorial/12-Wfn/GaAs.out0004
Examples/Abinit/Tutorial/12-Wfn/abi2bgw.in
Examples/Abinit/Tutorial/12-Wfn/abi2bgw.out
Examples/Abinit/Tutorial/12-Wfn/abi2bgw.run.sh
Examples/Abinit/Tutorial/12-Wfn/gsphere_bgw.out
Examples/Abinit/Tutorial/12-Wfn/rho.cplx
Examples/Abinit/Tutorial/12-Wfn/run.sh
Examples/Abinit/Tutorial/12-Wfn/wfn.cplx
Examples/Abinit/Tutorial/12-Wfn/wfn.run.sh
Examples/Abinit/Tutorial/12-Wfn/input_data/idat_DEN
Examples/Abinit/Tutorial/12-Wfn/out_data/odat_DEN
Examples/Abinit/Tutorial/12-Wfn/out_data/odat_EBANDS.agr
Examples/Abinit/Tutorial/12-Wfn/out_data/odat_EIG
Examples/Abinit/Tutorial/12-Wfn/out_data/odat_EIG.nc
Examples/Abinit/Tutorial/12-Wfn/out_data/odat_GSR.nc
Examples/Abinit/Tutorial/12-Wfn/out_data/odat_OUT.nc
Examples/Abinit/Tutorial/12-Wfn/out_data/odat_WFK
Examples/Abinit/Tutorial/Reference/11-Density/GaAs.files
Examples/Abinit/Tutorial/Reference/11-Density/GaAs.in
Examples/Abinit/Tutorial/Reference/11-Density/GaAs.out
Examples/Abinit/Tutorial/Reference/11-Density/run.sh
Examples/Abinit/Tutorial/Reference/12-Wfn/GaAs.files
Examples/Abinit/Tutorial/Reference/12-Wfn/GaAs.in
Examples/Abinit/Tutorial/Reference/12-Wfn/GaAs.out
Examples/Abinit/Tutorial/Reference/12-Wfn/abi2bgw.in
Examples/Abinit/Tutorial/Reference/12-Wfn/abi2bgw.out
Examples/Abinit/Tutorial/Reference/12-Wfn/abi2bgw.run.sh
Examples/Abinit/Tutorial/Reference/12-Wfn/run.sh
Examples/Abinit/Tutorial/Reference/12-Wfn/wfn.run.sh
Examples/Abinit/Tutorial/Reference/13-Wfnq/GaAs.files
Examples/Abinit/Tutorial/Reference/13-Wfnq/GaAs.in
Examples/Abinit/Tutorial/Reference/13-Wfnq/GaAs.out
Examples/Abinit/Tutorial/Reference/13-Wfnq/abi2bgw.in
Examples/Abinit/Tutorial/Reference/13-Wfnq/abi2bgw.out
Examples/Abinit/Tutorial/Reference/13-Wfnq/abi2bgw.run.sh
Examples/Abinit/Tutorial/Reference/13-Wfnq/run.sh
Examples/Abinit/Tutorial/Reference/13-Wfnq/wfn.run.sh
Examples/Abinit/Tutorial/Reference/14-Wfn_co/GaAs.files
Examples/Abinit/Tutorial/Reference/14-Wfn_co/GaAs.in
Examples/Abinit/Tutorial/Reference/14-Wfn_co/GaAs.out
Examples/Abinit/Tutorial/Reference/14-Wfn_co/abi2bgw.in
Examples/Abinit/Tutorial/Reference/14-Wfn_co/abi2bgw.out
Examples/Abinit/Tutorial/Reference/14-Wfn_co/abi2bgw.run.sh
Examples/Abinit/Tutorial/Reference/14-Wfn_co/run.sh
Examples/Abinit/Tutorial/Reference/14-Wfn_co/wfn.run.sh
Examples/Abinit/Tutorial/Reference/15-Wfn_fi/GaAs.files
Examples/Abinit/Tutorial/Reference/15-Wfn_fi/GaAs.in
Examples/Abinit/Tutorial/Reference/15-Wfn_fi/GaAs.out
Examples/Abinit/Tutorial/Reference/15-Wfn_fi/abi2bgw.in
Examples/Abinit/Tutorial/Reference/15-Wfn_fi/abi2bgw.out
Examples/Abinit/Tutorial/Reference/15-Wfn_fi/abi2bgw.run.sh
Examples/Abinit/Tutorial/Reference/15-Wfn_fi/run.sh
Examples/Abinit/Tutorial/Reference/15-Wfn_fi/wfn.run.sh
Examples/Abinit/Tutorial/Reference/16-Wfnq_fi/GaAs.files
Examples/Abinit/Tutorial/Reference/16-Wfnq_fi/GaAs.in
Examples/Abinit/Tutorial/Reference/16-Wfnq_fi/GaAs.out
Examples/Abinit/Tutorial/Reference/16-Wfnq_fi/abi2bgw.in
Examples/Abinit/Tutorial/Reference/16-Wfnq_fi/abi2bgw.out
Examples/Abinit/Tutorial/Reference/16-Wfnq_fi/abi2bgw.run.sh
Examples/Abinit/Tutorial/Reference/16-Wfnq_fi/run.sh
Examples/Abinit/Tutorial/Reference/16-Wfnq_fi/wfn.run.sh
Examples/Abinit/Tutorial/Reference/21-Epsilon/epsilon.out
Examples/Abinit/Tutorial/Reference/21-Epsilon/run.sh
Examples/Abinit/Tutorial/Reference/22-Sigma/run.sh
Examples/Abinit/Tutorial/Reference/22-Sigma/sigma.out
Examples/Abinit/Tutorial/Reference/23-Kernel/kernel.out
Examples/Abinit/Tutorial/Reference/23-Kernel/run.sh
Examples/Abinit/Tutorial/Reference/24-Absorption/absorption.out
Examples/Abinit/Tutorial/Reference/24-Absorption/run.sh
Examples/Abinit/Tutorial/Reference/32-GW/run.sh
Examples/Abinit/Tutorial/Reference/32-GW/01-Density/GaAs.files
Examples/Abinit/Tutorial/Reference/32-GW/01-Density/GaAs.in
Examples/Abinit/Tutorial/Reference/32-GW/01-Density/GaAs.out
Examples/Abinit/Tutorial/Reference/32-GW/01-Density/run.sh
Examples/Abinit/Tutorial/Reference/32-GW/02-Wfn/GaAs.files
Examples/Abinit/Tutorial/Reference/32-GW/02-Wfn/GaAs.in
Examples/Abinit/Tutorial/Reference/32-GW/02-Wfn/GaAs.out
Examples/Abinit/Tutorial/Reference/32-GW/02-Wfn/abi2bgw.in
Examples/Abinit/Tutorial/Reference/32-GW/02-Wfn/abi2bgw.out
Examples/Abinit/Tutorial/Reference/32-GW/02-Wfn/abi2bgw.run.sh
Examples/Abinit/Tutorial/Reference/32-GW/02-Wfn/run.sh
Examples/Abinit/Tutorial/Reference/32-GW/02-Wfn/wfn.run.sh
Examples/Abinit/Tutorial/Reference/32-GW/03-Wfnq/GaAs.files
Examples/Abinit/Tutorial/Reference/32-GW/03-Wfnq/GaAs.in
Examples/Abinit/Tutorial/Reference/32-GW/03-Wfnq/GaAs.out
Examples/Abinit/Tutorial/Reference/32-GW/03-Wfnq/abi2bgw.in
Examples/Abinit/Tutorial/Reference/32-GW/03-Wfnq/abi2bgw.out
Examples/Abinit/Tutorial/Reference/32-GW/03-Wfnq/abi2bgw.run.sh
Examples/Abinit/Tutorial/Reference/32-GW/03-Wfnq/run.sh
Examples/Abinit/Tutorial/Reference/32-GW/03-Wfnq/wfn.run.sh
Examples/Abinit/Tutorial/Reference/32-GW/04-Wfn_co/GaAs.files
Examples/Abinit/Tutorial/Reference/32-GW/04-Wfn_co/GaAs.in
Examples/Abinit/Tutorial/Reference/32-GW/04-Wfn_co/GaAs.out
Examples/Abinit/Tutorial/Reference/32-GW/04-Wfn_co/abi2bgw.in
Examples/Abinit/Tutorial/Reference/32-GW/04-Wfn_co/abi2bgw.out
Examples/Abinit/Tutorial/Reference/32-GW/04-Wfn_co/abi2bgw.run.sh
Examples/Abinit/Tutorial/Reference/32-GW/04-Wfn_co/run.sh
Examples/Abinit/Tutorial/Reference/32-GW/04-Wfn_co/wfn.run.sh
Examples/Abinit/Tutorial/Reference/32-GW/11-epsilon/epsilon.out
Examples/Abinit/Tutorial/Reference/32-GW/11-epsilon/run.sh
Examples/Abinit/Tutorial/Reference/32-GW/12-sigma/run.sh
Examples/Abinit/Tutorial/Reference/32-GW/12-sigma/sigma.out
Examples/Abinit/Tutorial/Reference/33-BSE/run.sh
Examples/Abinit/Tutorial/Reference/33-BSE/01-Density/GaAs.files
Examples/Abinit/Tutorial/Reference/33-BSE/01-Density/GaAs.in
Examples/Abinit/Tutorial/Reference/33-BSE/01-Density/GaAs.out
Examples/Abinit/Tutorial/Reference/33-BSE/01-Density/run.sh
Examples/Abinit/Tutorial/Reference/33-BSE/02-Wfn/GaAs.files
Examples/Abinit/Tutorial/Reference/33-BSE/02-Wfn/GaAs.in
Examples/Abinit/Tutorial/Reference/33-BSE/02-Wfn/GaAs.out
Examples/Abinit/Tutorial/Reference/33-BSE/02-Wfn/abi2bgw.in
Examples/Abinit/Tutorial/Reference/33-BSE/02-Wfn/abi2bgw.out
Examples/Abinit/Tutorial/Reference/33-BSE/02-Wfn/abi2bgw.run.sh
Examples/Abinit/Tutorial/Reference/33-BSE/02-Wfn/run.sh
Examples/Abinit/Tutorial/Reference/33-BSE/02-Wfn/wfn.run.sh
Examples/Abinit/Tutorial/Reference/33-BSE/03-Wfnq/GaAs.files
Examples/Abinit/Tutorial/Reference/33-BSE/03-Wfnq/GaAs.in
Examples/Abinit/Tutorial/Reference/33-BSE/03-Wfnq/GaAs.out
Examples/Abinit/Tutorial/Reference/33-BSE/03-Wfnq/abi2bgw.in
Examples/Abinit/Tutorial/Reference/33-BSE/03-Wfnq/abi2bgw.out
Examples/Abinit/Tutorial/Reference/33-BSE/03-Wfnq/abi2bgw.run.sh
Examples/Abinit/Tutorial/Reference/33-BSE/03-Wfnq/run.sh
Examples/Abinit/Tutorial/Reference/33-BSE/03-Wfnq/wfn.run.sh
Examples/Abinit/Tutorial/Reference/33-BSE/04-Wfn_co/GaAs.files
Examples/Abinit/Tutorial/Reference/33-BSE/04-Wfn_co/GaAs.in
Examples/Abinit/Tutorial/Reference/33-BSE/04-Wfn_co/GaAs.out
Examples/Abinit/Tutorial/Reference/33-BSE/04-Wfn_co/abi2bgw.in
Examples/Abinit/Tutorial/Reference/33-BSE/04-Wfn_co/abi2bgw.out
Examples/Abinit/Tutorial/Reference/33-BSE/04-Wfn_co/abi2bgw.run.sh
Examples/Abinit/Tutorial/Reference/33-BSE/04-Wfn_co/run.sh
Examples/Abinit/Tutorial/Reference/33-BSE/04-Wfn_co/wfn.run.sh
Examples/Abinit/Tutorial/Reference/33-BSE/05-Wfn_fi/GaAs.files
Examples/Abinit/Tutorial/Reference/33-BSE/05-Wfn_fi/GaAs.in
Examples/Abinit/Tutorial/Reference/33-BSE/05-Wfn_fi/GaAs.out
Examples/Abinit/Tutorial/Reference/33-BSE/05-Wfn_fi/abi2bgw.in
Examples/Abinit/Tutorial/Reference/33-BSE/05-Wfn_fi/abi2bgw.out
Examples/Abinit/Tutorial/Reference/33-BSE/05-Wfn_fi/abi2bgw.run.sh
Examples/Abinit/Tutorial/Reference/33-BSE/05-Wfn_fi/run.sh
Examples/Abinit/Tutorial/Reference/33-BSE/05-Wfn_fi/wfn.run.sh
Examples/Abinit/Tutorial/Reference/33-BSE/06-Wfnq_fi/GaAs.files
Examples/Abinit/Tutorial/Reference/33-BSE/06-Wfnq_fi/GaAs.in
Examples/Abinit/Tutorial/Reference/33-BSE/06-Wfnq_fi/GaAs.out
Examples/Abinit/Tutorial/Reference/33-BSE/06-Wfnq_fi/abi2bgw.in
Examples/Abinit/Tutorial/Reference/33-BSE/06-Wfnq_fi/abi2bgw.out
Examples/Abinit/Tutorial/Reference/33-BSE/06-Wfnq_fi/abi2bgw.run.sh
Examples/Abinit/Tutorial/Reference/33-BSE/06-Wfnq_fi/run.sh
Examples/Abinit/Tutorial/Reference/33-BSE/06-Wfnq_fi/wfn.run.sh
Examples/Abinit/Tutorial/Reference/33-BSE/11-epsilon/epsilon.out
Examples/Abinit/Tutorial/Reference/33-BSE/11-epsilon/run.sh
Examples/Abinit/Tutorial/Reference/33-BSE/12-sigma/run.sh
Examples/Abinit/Tutorial/Reference/33-BSE/12-sigma/sigma.out
Examples/Abinit/Tutorial/Reference/33-BSE/13-kernel/kernel.out
Examples/Abinit/Tutorial/Reference/33-BSE/13-kernel/run.sh
Examples/Abinit/Tutorial/Reference/33-BSE/14-absorption/absorption.out
Examples/Abinit/Tutorial/Reference/33-BSE/14-absorption/run.sh
Examples/Data/Pseudos/14-Si.UPF
Examples/Data/Pseudos/14-Si.pspnc
Examples/Data/Pseudos/31-Ga.PBE.UPF
Examples/Data/Pseudos/31-Ga.pspnc
Examples/Data/Pseudos/33-As.PBE.UPF
Examples/Data/Pseudos/33-As.pspnc
Examples/Data/Structures/GaAs.cif
Examples/Data/Structures/GaAs.json
Examples/Data/Structures/Si.cif
Examples/Data/Structures/Si.json
Examples/Data/Structures/write-GaAs-structure.py
Examples/Data/Structures/write-Si-structure.py
Examples/MakingStructures/s01-GaAs.py
Examples/MakingStructures/Reference/01-GaAs/GaAs.cif
Examples/MakingStructures/Reference/01-GaAs/GaAs.json
Examples/QuantumEspresso/Advanced/a01-wavefunctions.py
Examples/QuantumEspresso/Advanced/a11-Workflow-GW.py
Examples/QuantumEspresso/Advanced/Reference/01-Wavefunctions/Density/run.sh
Examples/QuantumEspresso/Advanced/Reference/01-Wavefunctions/Density/scf.in
Examples/QuantumEspresso/Advanced/Reference/01-Wavefunctions/Density/scf.out
Examples/QuantumEspresso/Advanced/Reference/01-Wavefunctions/Wavefunctions/run-pw2bgw.sh
Examples/QuantumEspresso/Advanced/Reference/01-Wavefunctions/Wavefunctions/run.sh
Examples/QuantumEspresso/Advanced/Reference/01-Wavefunctions/Wavefunctions/wfn.in
Examples/QuantumEspresso/Advanced/Reference/01-Wavefunctions/Wavefunctions/wfn.out
Examples/QuantumEspresso/Advanced/Reference/01-Wavefunctions/Wavefunctions/wfn.pp.in
Examples/QuantumEspresso/Advanced/Reference/01-Wavefunctions/Wavefunctions/wfn.pp.out
Examples/QuantumEspresso/Advanced/Reference/11-Workflow/run.sh
Examples/QuantumEspresso/Advanced/Reference/11-Workflow/density/run.sh
Examples/QuantumEspresso/Advanced/Reference/11-Workflow/density/scf.in
Examples/QuantumEspresso/Advanced/Reference/11-Workflow/density/scf.out
Examples/QuantumEspresso/Advanced/Reference/11-Workflow/epsilon/epsilon.inp
Examples/QuantumEspresso/Advanced/Reference/11-Workflow/epsilon/epsilon.out
Examples/QuantumEspresso/Advanced/Reference/11-Workflow/epsilon/run.sh
Examples/QuantumEspresso/Advanced/Reference/11-Workflow/sigma/run.sh
Examples/QuantumEspresso/Advanced/Reference/11-Workflow/sigma/sigma.inp
Examples/QuantumEspresso/Advanced/Reference/11-Workflow/sigma/sigma.out
Examples/QuantumEspresso/Advanced/Reference/11-Workflow/wfn/run-pw2bgw.sh
Examples/QuantumEspresso/Advanced/Reference/11-Workflow/wfn/run.sh
Examples/QuantumEspresso/Advanced/Reference/11-Workflow/wfn/wfn.in
Examples/QuantumEspresso/Advanced/Reference/11-Workflow/wfn/wfn.out
Examples/QuantumEspresso/Advanced/Reference/11-Workflow/wfn/wfn.pp.in
Examples/QuantumEspresso/Advanced/Reference/11-Workflow/wfn/wfn.pp.out
Examples/QuantumEspresso/Advanced/Reference/11-Workflow/wfn_co/run-pw2bgw.sh
Examples/QuantumEspresso/Advanced/Reference/11-Workflow/wfn_co/run.sh
Examples/QuantumEspresso/Advanced/Reference/11-Workflow/wfn_co/wfn.in
Examples/QuantumEspresso/Advanced/Reference/11-Workflow/wfn_co/wfn.out
Examples/QuantumEspresso/Advanced/Reference/11-Workflow/wfn_co/wfn.pp.in
Examples/QuantumEspresso/Advanced/Reference/11-Workflow/wfn_co/wfn.pp.out
Examples/QuantumEspresso/Advanced/Reference/11-Workflow/wfnq/run-pw2bgw.sh
Examples/QuantumEspresso/Advanced/Reference/11-Workflow/wfnq/run.sh
Examples/QuantumEspresso/Advanced/Reference/11-Workflow/wfnq/wfn.in
Examples/QuantumEspresso/Advanced/Reference/11-Workflow/wfnq/wfn.out
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Examples/QuantumEspresso/Tutorial/t11-Density.py
Examples/QuantumEspresso/Tutorial/t12-Wfn.py
Examples/QuantumEspresso/Tutorial/t13-Wfnq.py
Examples/QuantumEspresso/Tutorial/t14-Wfn_co.py
Examples/QuantumEspresso/Tutorial/t15-Wfn_fi.py
Examples/QuantumEspresso/Tutorial/t16-Wfnq_fi.py
Examples/QuantumEspresso/Tutorial/t21-Epsilon.py
Examples/QuantumEspresso/Tutorial/t22-Sigma.py
Examples/QuantumEspresso/Tutorial/t23-Kernel.py
Examples/QuantumEspresso/Tutorial/t24-Absorption.py
Examples/QuantumEspresso/Tutorial/t32-GW.py
Examples/QuantumEspresso/Tutorial/t33-BSE.py
Examples/QuantumEspresso/Tutorial/Reference/11-Density/run.sh
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Examples/QuantumEspresso/Tutorial/Reference/22-Sigma/run.sh
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Examples/QuantumEspresso/Tutorial/Reference/24-Absorption/absorption.inp
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Examples/QuantumEspresso/Tutorial/Reference/32-GW/run.sh
Examples/QuantumEspresso/Tutorial/Reference/32-GW/01-Density/run.sh
Examples/QuantumEspresso/Tutorial/Reference/32-GW/01-Density/scf.in
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Examples/QuantumEspresso/Tutorial/Reference/32-GW/02-Wfn/run-pw2bgw.sh
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Examples/QuantumEspresso/Tutorial/Reference/33-BSE/01-Density/scf.in
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Examples/QuantumEspresso/Tutorial/Reference/33-BSE/02-Wfn/run-pw2bgw.sh
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Examples/QuantumEspresso/Tutorial/Reference/33-BSE/03-Wfnq/wfn.in
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Examples/QuantumEspresso/Tutorial/Reference/33-BSE/04-Wfn_co/run-pw2bgw.sh
Examples/QuantumEspresso/Tutorial/Reference/33-BSE/04-Wfn_co/run.sh
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