Supported parsers¶

This is a list of all available parsers and supported file formats:

Amber, ASAP, ASE, BOPfox, DFTB+, DL_POLY, GROMACS, GROMOS, GULP, H5MD, LAMMPS, libAtoms, NAMD, Tinker, xTB, OpenKIM, AFLOW, ASR, Atomate, ElaStic, FHI-vibes, LOBSTER, phonopy, QuantumEspressoEPW, QuantumEspressPhonon, QuantumESPRESSOXSpectra, ABACUS, ABINIT, AMS, QuantumATK, BigDFT, CASTEP, CHARMM, CP2K, CPMD, CRYSTAL, DMol3, eDMFT, Elk, exciting, FHI-aims, FLEUR, FPLO, GAMESS, Gaussian, GPAW, magres, Molcas, MOPAC, NWChem, OCEAN, Octopus, ONETEP, OpenMX, ORCA, Psi4, Qball, Qbox, QuantumESPRESSO, SIESTA, solid_dmft, TBStudio, TURBOMOLE, VASP, w2dynamics, Wannier90, WIEN2k, YAMBO

Atomistic codes¶

Amber¶

NOMAD parser for AMBER.

format homepage: http://ambermd.org/
parser name: atomisticparsers:amber_parser_entry_point
plugin: atomisticparsers
parser class: atomisticparsers.amber.AmberParser
parser code: https://github.com/nomad-coe/atomistic-parsers

ASAP¶

NOMAD parser for ASAP.

format homepage: https://wiki.fysik.dtu.dk/asap
parser name: atomisticparsers:asap_parser_entry_point
plugin: atomisticparsers
parser class: atomisticparsers.asap.AsapParser
parser code: https://github.com/nomad-coe/atomistic-parsers

ASE¶

NOMAD parser for ASE.

format homepage: https://wiki.fysik.dtu.dk/ase
parser name: atomisticparsers:ase_parser_entry_point
plugin: atomisticparsers
parser class: atomisticparsers.ase.AseParser
parser code: https://github.com/nomad-coe/atomistic-parsers

BOPfox¶

NOMAD parser for BOPFOX.

format homepage: http://bopfox.de/
parser name: atomisticparsers:bopfox_parser_entry_point
plugin: atomisticparsers
parser class: atomisticparsers.bopfox.BOPfoxParser
parser code: https://github.com/nomad-coe/atomistic-parsers

DFTB+¶

NOMAD parser for DFTBPLUS.

format homepage: http://www.dftbplus.org/
parser name: atomisticparsers:dftbplus_parser_entry_point
plugin: atomisticparsers
parser class: atomisticparsers.dftbplus.DFTBPlusParser
parser code: https://github.com/nomad-coe/atomistic-parsers

DL_POLY¶

NOMAD parser for DLPOLY.

format homepage: https://www.scd.stfc.ac.uk/Pages/DL_POLY.aspx
parser name: atomisticparsers:dlpoly_parser_entry_point
plugin: atomisticparsers
parser class: atomisticparsers.dlpoly.DLPolyParser
parser code: https://github.com/nomad-coe/atomistic-parsers

GROMACS¶

NOMAD parser for GROMACS.

format homepage: http://www.gromacs.org/
parser name: atomisticparsers:gromacs_parser_entry_point
plugin: atomisticparsers
parser class: atomisticparsers.gromacs.GromacsParser
parser code: https://github.com/nomad-coe/atomistic-parsers

GROMOS¶

NOMAD parser for GROMOS.

format homepage: http://www.gromos.net/
parser name: atomisticparsers:gromos_parser_entry_point
plugin: atomisticparsers
parser class: atomisticparsers.gromos.GromosParser
parser code: https://github.com/nomad-coe/atomistic-parsers

GULP¶

NOMAD parser for GULP.

format homepage: http://gulp.curtin.edu.au/gulp/
parser name: atomisticparsers:gulp_parser_entry_point
plugin: atomisticparsers
parser class: atomisticparsers.gulp.GulpParser
parser code: https://github.com/nomad-coe/atomistic-parsers

H5MD¶

NOMAD parser for H5MD.

format homepage: None
parser name: atomisticparsers:h5md_parser_entry_point
plugin: atomisticparsers
parser class: atomisticparsers.h5md.H5MDParser
parser code: https://github.com/nomad-coe/atomistic-parsers

LAMMPS¶

NOMAD parser for LAMMPS.

format homepage: https://lammps.sandia.gov/
parser name: atomisticparsers:lammps_parser_entry_point
plugin: atomisticparsers
parser class: atomisticparsers.lammps.LammpsParser
parser code: https://github.com/nomad-coe/atomistic-parsers

libAtoms¶

NOMAD parser for LIBATOMS.

format homepage: http://libatoms.github.io/
parser name: atomisticparsers:libatoms_parser_entry_point
plugin: atomisticparsers
parser class: atomisticparsers.libatoms.LibAtomsParser
parser code: https://github.com/nomad-coe/atomistic-parsers

NAMD¶

NOMAD parser for NAMD.

format homepage: http://www.ks.uiuc.edu/Research/namd/
parser name: atomisticparsers:namd_parser_entry_point
plugin: atomisticparsers
parser class: atomisticparsers.namd.NAMDParser
parser code: https://github.com/nomad-coe/atomistic-parsers

Tinker¶

NOMAD parser for TINKER.

format homepage: https://dasher.wustl.edu/tinker/
parser name: atomisticparsers:tinker_parser_entry_point
plugin: atomisticparsers
parser class: atomisticparsers.tinker.TinkerParser
parser code: https://github.com/nomad-coe/atomistic-parsers

xTB¶

NOMAD parser for XTB.

format homepage: https://www.chemie.uni-bonn.de/pctc/mulliken-center/software/xtb/
parser name: atomisticparsers:xtb_parser_entry_point
plugin: atomisticparsers
parser class: atomisticparsers.xtb.XTBParser
parser code: https://github.com/nomad-coe/atomistic-parsers

Input Filename	Description
`*.out`	Mainfile: a plain text file w/ user-defined name
`*.coord`	plain text; structure file
`*.xyz`	plain text, structure file
`*xtbopt.log`	plain text, trajectory file of geometry optimization
`*xtb.trj`	plain text, trajectory of molecular dynamics
`*xtbtopo.mol`	plain text, topology file
`*xtbrestart`	binary file, restart file
`charges`	plain text, output charges

ABACUS¶

NOMAD parser for ABACUS.

format homepage: http://abacus.ustc.edu.cn/
parser name: electronicparsers:abacus_parser_entry_point
plugin: electronicparsers
parser class: electronicparsers.abacus.ABACUSParser
parser code: https://github.com/nomad-coe/electronic-parsers

Input Filename	Description
`<text_file>`	Mainfile, plain text file w/arbitrary name, e.g., `running_<scf, nscf, relax, ...md>.log`
`INPUT`	Runtime information
AUX FILES	Description
`STRU`	Material's atomic-structure information
`KPT`	K-points information
`<text_file>`	pseudopotental files
`<text_file>`	optimized atomic basis sets
`TDOS`	Kohn-Sham total DOS
`PDOS`	Projected DOS
`BANDS_<nspin>.dat`	bandstructure file

ABINIT¶

NOMAD parser for ABINIT.

format homepage: https://www.abinit.org/
parser name: electronicparsers:abinit_parser_entry_point
plugin: electronicparsers
parser class: electronicparsers.abinit.AbinitParser
parser code: https://github.com/nomad-coe/electronic-parsers

Input Filename	Description
`.o*`	Mainfile: a plain text file w/ user-defined name
`*.files`	plain text; user-defined filenames
`.i*`	plain text, input parameters
`*_o_DDB`	netcdf binary file, Derivative DataBases of total energy
`*_o_DEN`	netcdf binary file, charge density
`*_o_EIG`	text file, eigenvalues
`*_o_WFK`	netcdf binary file, wavefunction
`*o_SCR`	netcdf binary file, RPA inverse dielectric screening
`*o_SIGRES`	netcdf binary file, GW self-energy correction
`log`	plain text, redirection of screen output (`stdout`)

AMS¶

NOMAD parser for AMS.

format homepage: https://www.scm.com
parser name: electronicparsers:ams_parser_entry_point
plugin: electronicparsers
parser class: electronicparsers.ams.AMSParser
parser code: https://github.com/nomad-coe/electronic-parsers

QuantumATK¶

NOMAD parser for ATK.

format homepage: https://www.synopsys.com/silicon/quantumatk.html
parser name: electronicparsers:atk_parser_entry_point
plugin: electronicparsers
parser class: electronicparsers.atk.ATKParser
parser code: https://github.com/nomad-coe/electronic-parsers

Input Filename	Description
`*.nc`	The NetCDF output is used as the mainfile (HDF5 output is currently not yet supported)
`*`	Other ATK input and output files act as auxiliary files that can be downloaded, put are not parsed

BigDFT¶

NOMAD parser for BIGDFT.

format homepage: http://bigdft.org/
parser name: electronicparsers:bigdft_parser_entry_point
plugin: electronicparsers
parser class: electronicparsers.bigdft.BigDFTParser
parser code: https://github.com/nomad-coe/electronic-parsers

CASTEP¶

NOMAD parser for CASTEP.

format homepage: http://www.castep.org/
parser name: electronicparsers:castep_parser_entry_point
plugin: electronicparsers
parser class: electronicparsers.castep.CastepParser
parser code: https://github.com/nomad-coe/electronic-parsers

CHARMM¶

NOMAD parser for CHARMM.

format homepage: https://www.charmm.org
parser name: electronicparsers:charmm_parser_entry_point
plugin: electronicparsers
parser class: electronicparsers.charmm.CharmmParser
parser code: https://github.com/nomad-coe/electronic-parsers

CP2K¶

NOMAD parser for CP2K.

format homepage: https://www.cp2k.org/
parser name: electronicparsers:cp2k_parser_entry_point
plugin: electronicparsers
parser class: electronicparsers.cp2k.CP2KParser
parser code: https://github.com/nomad-coe/electronic-parsers

Input Filename	Description
`*.out`	Mainfile: output text file w/ arbitrary name
`.in` or `.restart`	input text file; defined in the first lines of `*.out`
`*.pdos`	(projected) dos output file
`*.xyz`	trajectories output file
`*.ener`	MD energies output file

CPMD¶

NOMAD parser for CPMD.

format homepage: https://www.cpmd.org/
parser name: electronicparsers:cpmd_parser_entry_point
plugin: electronicparsers
parser class: electronicparsers.cpmd.CPMDParser
parser code: https://github.com/nomad-coe/electronic-parsers

CRYSTAL¶

NOMAD parser for CRYSTAL.

format homepage: https://www.crystal.unito.it/
parser name: electronicparsers:crystal_parser_entry_point
plugin: electronicparsers
parser class: electronicparsers.crystal.CrystalParser
parser code: https://github.com/nomad-coe/electronic-parsers

Input Filename	Description
`<text_file>`	Mainfile, plain text file w/arbitrary name. E.g., `simulation.out`
`<text_file>.d12`	Program input. Plain text file with the same name (different extension) as the mainfile. E.g. `simulation.d12`
AUX FILES	Description
`<text_file>.f25`	Output of various electronic and electrical properties. Plain text file with the same name (different extension) as the mainfile. NOTE: required in order to parse band structures and density of states. E.g. `simulation.f25`

DMol3¶

NOMAD parser for DMOL3.

format homepage: http://dmol3.web.psi.ch/
parser name: electronicparsers:dmol3_parser_entry_point
plugin: electronicparsers
parser class: electronicparsers.dmol3.Dmol3Parser
parser code: https://github.com/nomad-coe/electronic-parsers

eDMFT¶

NOMAD parser for EDMFT.

format homepage: http://hauleweb.rutgers.edu/tutorials/
parser name: electronicparsers:edmft_parser_entry_point
plugin: electronicparsers
parser class: electronicparsers.edmft.EDMFTParser
parser code: https://github.com/nomad-coe/electronic-parsers

Input Filename	Description
`dmft_info.out`	Mainfile: output full DMFT loop text file
`dmft1_info.out`	output DMFT1 loop text file
`dmft2_info.out`	output DMFT2 loop text file
`*.indmfl`	input basis parameters text file
`*params.dat`	input DMFT parameters text file
`*.struct`	output text file with data for the structure (specific to WIEN2k)
`*projectorw.dat`	output data file with projectors
`*.dayfile`	output sfc charge information for DMFT2->DFT
`info.iterate`	output sfc information; use second Ftot+T*Simp column for the free energy
`*.gcJ`	output Greens function lattice data per DMFT loop J
`imp.X/Gf.out.I.J`	output Greens function data for impurity X per DFT+DMFT loop I and DMFT loop J
`sig.inpJ`	output self-energy lattice data per DMFT loop J
`imp.X/Sig.out.I.J`	output self-energy data for impurity X data per DFT+DMFT loop I and DMFT loop J
`*.dltJ`	output hybridization function data per DMFT loop J
`imp.X/Delta.inp.I.J`	output hybridization function data for impurity X data DFT+DMFT loop I and DMFT loop J

Elk¶

NOMAD parser for ELK.

format homepage: http://elk.sourceforge.net/
parser name: electronicparsers:elk_parser_entry_point
plugin: electronicparsers
parser class: electronicparsers.elk.ElkParser
parser code: https://github.com/nomad-coe/electronic-parsers

exciting¶

NOMAD parser for EXCITING.

format homepage: http://exciting-code.org/
parser name: electronicparsers:exciting_parser_entry_point
plugin: electronicparsers
parser class: electronicparsers.exciting.ExcitingParser
parser code: https://github.com/nomad-coe/electronic-parsers

Input Filename	Description
`INFO.OUT`	mainfile
`BAND-QP.OUT`
`BANDLINES.OUT`
`DIELTENS0*.OUT`
`DIELTENS0_NOSYM*.OUT`
`EIGVAL.OUT`
`EPSILON_FXC_OC*.OUT`
`EPSILON_NLF_FXC_OC*.OUT`
`EPSILON_BSE_SCR_OC*.OUT`
`EVALQP.DAT or EVALQP.TXT`
`EXCITON_BSE_SCR_OC*.OUT`
`FERMISURF.bxsf`
`GQPOINTS*.OUT`
`GW_INFO.OUT`
`INFO_VOL`
`LOSS_FXC_OC*.OUT`
`LOSS_NLF_FXC_OC.OUT`
`QPOINTS.OUT`
`SIGMA_FXC_OC*.OUT`
`SIGMA_NLF_FXC_OC*.OUT`
`SIGMA_BSE_SCR_OC*.OUT`
`TDOS-QP.OUT`	time dependent DOS
`bandstructure-qp.dat`
`bandstructure.xml`	(vertexLabGWFile)
`bandstructure.xml`
`dos.xml`
`input-gw.xml`
`input.xml`	(GSFile)
`input.xml`	(XSFile)
`str.out`

FHI-aims¶

NOMAD parser for FHIAIMS.

format homepage: https://aimsclub.fhi-berlin.mpg.de/
parser name: electronicparsers:fhiaims_parser_entry_point
plugin: electronicparsers
parser class: electronicparsers.fhiaims.FHIAimsParser
parser code: https://github.com/nomad-coe/electronic-parsers

Input Filename	Description
`<text_file>`	Mainfile, plain text file w/arbitrary name, e.g., `<output,control, aims,...>.out`
`control.in`	Runtime information
`geometry.in`	Material's atomic-structure information,
AUX FILES	Description
`<atoml_label>_l_proj_dos.out`	Angular-momentum-resolved DOS @ Fermi Energy
`<atoml_label>_l_proj_dos_raw.out`	Angular-momentum-resolved DOS @ vacuum
`KS_DOS_total.dat`	Kohn-Sham total DOS @ Fermi Energy
`KS_DOS_total_raw.dat`	Kohn-Sham total DOS @ vacuum
`Mulliken.out` WARNING-->	Mulliken charge analysis on all atoms. WARNING not yet read by NOMAD's parser
`atom_proj_dos_<atom_name><index>_raw.dat`	Atom-projected DOS @ vacuum
`atom_projected_dos_<atom_name><index>.dat`	Atom-projected DOS @ Fermi Energy
`band<spin><segment>.out`	bandstructure file
`GW_band<spin><segment>`	GW bandstructure file

FLEUR¶

NOMAD parser for FLEUR.

format homepage: https://www.flapw.de/
parser name: electronicparsers:fleur_parser_entry_point
plugin: electronicparsers
parser class: electronicparsers.fleur.FleurParser
parser code: https://github.com/nomad-coe/electronic-parsers

FPLO¶

NOMAD parser for FPLO.

format homepage: https://www.fplo.de/
parser name: electronicparsers:fplo_parser_entry_point
plugin: electronicparsers
parser class: electronicparsers.fplo.FploParser
parser code: https://github.com/nomad-coe/electronic-parsers

GAMESS¶

NOMAD parser for GAMESS.

format homepage: https://www.msg.chem.iastate.edu/
parser name: electronicparsers:gamess_parser_entry_point
plugin: electronicparsers
parser class: electronicparsers.gamess.GamessParser
parser code: https://github.com/nomad-coe/electronic-parsers

Gaussian¶

NOMAD parser for GAUSSIAN.

format homepage: http://gaussian.com
parser name: electronicparsers:gaussian_parser_entry_point
plugin: electronicparsers
parser class: electronicparsers.gaussian.GaussianParser
parser code: https://github.com/nomad-coe/electronic-parsers

GPAW¶

NOMAD parser for GPAW.

format homepage: https://wiki.fysik.dtu.dk/gpaw/
parser name: electronicparsers:gpaw_parser_entry_point
plugin: electronicparsers
parser class: electronicparsers.gpaw.GPAWParser
parser code: https://github.com/nomad-coe/electronic-parsers

magres¶

NOMAD parser for MAGRES.

format homepage: https://www.ccpnc.ac.uk/docs/magres
parser name: electronicparsers:magres_parser_entry_point
plugin: electronicparsers
parser class: electronicparsers.magres.MagresParser
parser code: https://github.com/nomad-coe/electronic-parsers

Molcas¶

NOMAD parser for MOLCAS.

format homepage: http://molcas.org/
parser name: electronicparsers:molcas_parser_entry_point
plugin: electronicparsers
parser class: electronicparsers.molcas.MolcasParser
parser code: https://github.com/nomad-coe/electronic-parsers

MOPAC¶

NOMAD parser for MOPAC.

format homepage: http://openmopac.net/
parser name: electronicparsers:mopac_parser_entry_point
plugin: electronicparsers
parser class: electronicparsers.mopac.MopacParser
parser code: https://github.com/nomad-coe/electronic-parsers

NWChem¶

NOMAD parser for NWCHEM.

format homepage: https://nwchemgit.github.io/
parser name: electronicparsers:nwchem_parser_entry_point
plugin: electronicparsers
parser class: electronicparsers.nwchem.NWChemParser
parser code: https://github.com/nomad-coe/electronic-parsers

OCEAN¶

NOMAD parser for OCEAN.

format homepage: https://feff.phys.washington.edu/OCEAN/index.html
parser name: electronicparsers:ocean_parser_entry_point
plugin: electronicparsers
parser class: electronicparsers.ocean.OceanParser
parser code: https://github.com/nomad-coe/electronic-parsers

Input Filename	Description
`*`	Mainfile: text output file (in JSON format)
`*.in`	input file with all parameters
`absspct*`	output data file with the Absorption Spectra
`abslanc*`	output data file with (Lanzcos algorithm) Absorption spectra
`xesspct*`	output data file with the Emission Spectra
`rxsspct*`	output data file with the RIXS
`photon*`	electron-photon operator

Octopus¶

NOMAD parser for OCTOPUS.

format homepage: https://octopus-code.org/
parser name: electronicparsers:octopus_parser_entry_point
plugin: electronicparsers
parser class: electronicparsers.octopus.OctopusParser
parser code: https://github.com/nomad-coe/electronic-parsers

Input Filename	Description
`<text_file>`	Mainfile: a plain text file w/arbitrary name
`exec/`	Subdir for runtime information
`exec/parser.log`	Input variables (user-defined & default values)
`inp`	input file
`parse.log`	Warining : probably obsolete
`restart/`	Data to restart a calculation, e.g., `restart/gs/` is for ground-state
`static/`	Subdir to report static part of a calculation
`static/eigenvalues`
`static/info`	General info on static part

ONETEP¶

NOMAD parser for ONETEP.

format homepage: https://www.onetep.org/
parser name: electronicparsers:onetep_parser_entry_point
plugin: electronicparsers
parser class: electronicparsers.onetep.OnetepParser
parser code: https://github.com/nomad-coe/electronic-parsers

OpenMX¶

NOMAD parser for OPENMX.

format homepage: http://www.openmx-square.org/
parser name: electronicparsers:openmx_parser_entry_point
plugin: electronicparsers
parser class: electronicparsers.openmx.OpenmxParser
parser code: https://github.com/nomad-coe/electronic-parsers

Input Filename	Description
`<systemname>.out`	Mainfile in OpenMX specific plain-text

ORCA¶

NOMAD parser for ORCA.

format homepage: https://www.faccts.de/orca/
parser name: electronicparsers:orca_parser_entry_point
plugin: electronicparsers
parser class: electronicparsers.orca.OrcaParser
parser code: https://github.com/nomad-coe/electronic-parsers

Psi4¶

NOMAD parser for PSI4.

format homepage: https://psicode.org/
parser name: electronicparsers:psi4_parser_entry_point
plugin: electronicparsers
parser class: electronicparsers.psi4.Psi4Parser
parser code: https://github.com/nomad-coe/electronic-parsers

Input Filename	Description
`*.out`	Mainfile: a plain text file w/ user-defined name
`*.dat`	plain text input file

Qball¶

NOMAD parser for QBALL.

format homepage: https://github.com/LLNL/qball
parser name: electronicparsers:qball_parser_entry_point
plugin: electronicparsers
parser class: electronicparsers.qball.QBallParser
parser code: https://github.com/nomad-coe/electronic-parsers

Input Filename	Description
`*.out`	Mainfile: a plain text file w/ user-defined name

Qbox¶

NOMAD parser for QBOX.

format homepage: http://qboxcode.org/
parser name: electronicparsers:qbox_parser_entry_point
plugin: electronicparsers
parser class: electronicparsers.qbox.QboxParser
parser code: https://github.com/nomad-coe/electronic-parsers

QuantumESPRESSO¶

NOMAD parser for QUANTUMESPRESSO.

format homepage: http://www.quantum-espresso.org/
parser name: electronicparsers:quantumespresso_parser_entry_point
plugin: electronicparsers
parser class: electronicparsers.quantumespresso.QuantumEspressoParser
parser code: https://github.com/nomad-coe/electronic-parsers

Filename	Description
`<text_file>`	Mainfile: a plain text file w/arbitrary name. \
One of the top lines must contain '`Program PWSCF.*starts`', \
where '`.`' means an arbitrary number '``' of arbitrary \
characters '`.`'	"

SIESTA¶

NOMAD parser for SIESTA.

format homepage: https://siesta-project.org/siesta
parser name: electronicparsers:siesta_parser_entry_point
plugin: electronicparsers
parser class: electronicparsers.siesta.SiestaParser
parser code: https://github.com/nomad-coe/electronic-parsers

solid_dmft¶

NOMAD parser for SOLIDDMFT.

format homepage: https://github.com/TRIQS/solid_dmft
parser name: electronicparsers:soliddmft_parser_entry_point
plugin: electronicparsers
parser class: electronicparsers.soliddmft.SolidDMFTParser
parser code: https://github.com/nomad-coe/electronic-parsers

Input Filename	Description
`*.h5`	Mainfile: h5 file containing all i/o parameters w/ arbitrary name

TBStudio¶

NOMAD parser for TBSTUDIO.

format homepage: https://tight-binding.com/
parser name: electronicparsers:tbstudio_parser_entry_point
plugin: electronicparsers
parser class: electronicparsers.tbstudio.TBStudioParser
parser code: https://github.com/nomad-coe/electronic-parsers

Input Filename	Description
`*.tbm`	Mainfile: output binary file

TURBOMOLE¶

NOMAD parser for TURBOMOLE.

format homepage: https://www.turbomole.org/
parser name: electronicparsers:turbomole_parser_entry_point
plugin: electronicparsers
parser class: electronicparsers.turbomole.TurbomoleParser
parser code: https://github.com/nomad-coe/electronic-parsers

VASP¶

NOMAD parser for VASP.

format homepage: https://www.vasp.at/
parser name: electronicparsers:vasp_parser_entry_point
plugin: electronicparsers
parser class: electronicparsers.vasp.VASPParser
parser code: https://github.com/nomad-coe/electronic-parsers

Input Filename	Description
`vasprun.xml`	Mainfile in plain-text (structured) XML format
`OUTCAR`	plain-text (semi-structured) file, VAPS's detailed output. Read by NOMAD only as fallback to parse `outcar` data

w2dynamics¶

NOMAD parser for W2DYNAMICS.

format homepage: https://github.com/w2dynamics/w2dynamics
parser name: electronicparsers:w2dynamics_parser_entry_point
plugin: electronicparsers
parser class: electronicparsers.w2dynamics.W2DynamicsParser
parser code: https://github.com/nomad-coe/electronic-parsers

Input Filename	Description
`*.hdf5`	Mainfile: hdf5 file containing all i/o parameters w/ arbitrary name
`*.in`	input text file containing [general], [atoms], and [QMC] input parameters
`epsk`	plain text, discrete bath levels
`Vk`	plain text, hybridizations
`w2d.log`	output log error file

Wannier90¶

NOMAD parser for WANNIER90.

format homepage: http://www.wannier.org/
parser name: electronicparsers:wannier90_parser_entry_point
plugin: electronicparsers
parser class: electronicparsers.wannier90.Wannier90Parser
parser code: https://github.com/nomad-coe/electronic-parsers

Input Filename	Description
`*.wout`	Mainfile: output text file w/ arbitrary name
`*.win`	input text file
`*band.dat`	band structure output file
`*dos.dat`	dos output file
`*hr.dat`	hopping matrices (written if write_hr *.win is true)

WIEN2k¶

NOMAD parser for WIEN2K.

format homepage: http://www.wien2k.at/
parser name: electronicparsers:wien2k_parser_entry_point
plugin: electronicparsers
parser class: electronicparsers.wien2k.Wien2kParser
parser code: https://github.com/nomad-coe/electronic-parsers

YAMBO¶

NOMAD parser for YAMBO.

format homepage: https://www.yambo-code.org/
parser name: electronicparsers:yambo_parser_entry_point
plugin: electronicparsers
parser class: electronicparsers.yambo.YamboParser
parser code: https://github.com/nomad-coe/electronic-parsers

Input Filename	Description
`r-*`	Mainfile: a plain text file w/ user-defined name
`o-*`	plain text auxiliary output files w/ user-defined filenames
`*.in`	plain text input file w/ user-defined name
`n.*`	netcdf file with user-defined name

Database managers¶

OpenKIM¶

NOMAD parser for OPENKIM.

format homepage: https://openkim.org/
parser name: databaseparsers:openkim_parser_entry_point
plugin: databaseparsers
parser class: databaseparsers.openkim.OpenKIMParser
parser code: https://github.com/nomad-coe/database-parsers

Workflow managers¶

AFLOW¶

NOMAD parser for AFLOW.

format homepage: http://www.aflowlib.org/
parser name: workflowparsers:aflow_parser_entry_point
plugin: workflowparsers
parser class: workflowparsers.aflow.AFLOWParser
parser code: https://github.com/nomad-coe/electronic-parsers

Input Filename	Description
`aflowlib.json`	Mainfile: a json file containing the aflow output
`aflow.ael.out`	plain text, elastic outputs
`aflow.agl.out`	plain text, Debye model output

ASR¶

NOMAD parser for ASR.

format homepage: https://asr.readthedocs.io/en/latest/index.html
parser name: workflowparsers:asr_parser_entry_point
plugin: workflowparsers
parser class: workflowparsers.asr.ASRParser
parser code: https://github.com/nomad-coe/electronic-parsers

Input Filename	Description
`archive*.json`	Mainfile: a json file w/ user-defined name

Atomate¶

NOMAD parser for ATOMATE.

format homepage: https://www.atomate.org/
parser name: workflowparsers:atomate_parser_entry_point
plugin: workflowparsers
parser class: workflowparsers.atomate.AtomateParser
parser code: https://github.com/nomad-coe/electronic-parsers

Input Filename	Description
`*materials.json`	Mainfile: a json file containing system info
`*.json`	json files containing workflow results

ElaStic¶

NOMAD parser for ELASTIC.

format homepage: http://exciting.wikidot.com/elastic
parser name: workflowparsers:elastic_parser_entry_point
plugin: workflowparsers
parser class: workflowparsers.elastic.ElasticParser
parser code: https://github.com/nomad-coe/electronic-parsers

FHI-vibes¶

NOMAD parser for FHIVIBES.

format homepage: https://vibes.fhi-berlin.mpg.de/
parser name: workflowparsers:fhivibes_parser_entry_point
plugin: workflowparsers
parser class: workflowparsers.fhivibes.FHIVibesParser
parser code: https://github.com/nomad-coe/electronic-parsers

Input Filename	Description
`<hdf_file>`	Mainfile, binary hdf file w/ ext .nc`

LOBSTER¶

NOMAD parser for LOBSTER.

format homepage: http://schmeling.ac.rwth-aachen.de/cohp/
parser name: workflowparsers:lobster_parser_entry_point
plugin: workflowparsers
parser class: workflowparsers.lobster.LobsterParser
parser code: https://github.com/nomad-coe/electronic-parsers

Input Filename	Description
`lobsterout`	Mainfile in LOBSTER specific plain-text

phonopy¶

NOMAD parser for PHONOPY.

format homepage: https://phonopy.github.io/phonopy/
parser name: workflowparsers:phonopy_parser_entry_point
plugin: workflowparsers
parser class: workflowparsers.phonopy.PhonopyParser
parser code: https://github.com/nomad-coe/electronic-parsers

QuantumEspressoEPW¶

NOMAD parser for QUANTUM_ESPRESSO_EPW.

format homepage: https://www.quantum-espresso.org
parser name: workflowparsers:quantum_espresso_epw_parser_entry_point
plugin: workflowparsers
parser class: workflowparsers.quantum_espresso_epw.QuantumEspressoEPWParser
parser code: https://github.com/nomad-coe/electronic-parsers

QuantumEspressPhonon¶

NOMAD parser for QUANTUM_ESPRESSO_PHONON.

format homepage: https://www.quantum-espresso.org
parser name: workflowparsers:quantum_espresso_phonon_parser_entry_point
plugin: workflowparsers
parser class: workflowparsers.quantum_espresso_phonon.QuantumEspressoPhononParser
parser code: https://github.com/nomad-coe/electronic-parsers

QuantumESPRESSOXSpectra¶

NOMAD parser for QUANTUM_ESPRESSO_XSPECTRA.

format homepage: https://www.quantum-espresso.org/Doc/INPUT_XSpectra.txt
parser name: workflowparsers:quantum_espresso_xspectra_parser_entry_point
plugin: workflowparsers
parser class: workflowparsers.quantum_espresso_xspectra.QuantumEspressoXSpectraParser
parser code: https://github.com/nomad-coe/electronic-parsers

Input Filename	Description
`*.out`	Mainfile: text output file
`*.dat`	output data file with the Absorption Spectra