aiida-wannier90-workflows plot#
Plot band structures of WorkChain.
aiida-wannier90-workflows plot [OPTIONS] COMMAND [ARGS]...
band#
Plot band structures for BandsData or WorkChain.
node is the PK of a BandsData, or a PwBaseWorkChain, or Wannier90BandsWorkChain.
aiida-wannier90-workflows plot band [OPTIONS] NODE
Options
- -s, --save#
save as a python plotting script instead of showing matplotlib window
- -f, --save_format <save_format>#
Save as a python plotting script (default) or png/pdf
Arguments
- NODE#
Required argument
bands#
Compare DFT and Wannier band structures.
PW is the PK of a PwBaseWorkChain, or a BandsData, WANNIER is the PK of a Wannier90BandsWorkChain, or a BandsData.
If only WANNIER is passed, I will invoke QueryBuilder to search for corresponding PW bands.
aiida-wannier90-workflows plot bands [OPTIONS] [PW]... WANNIER
Options
- -s, --save#
save as a python plotting script instead of showing matplotlib window
- -f, --save_format <save_format>#
Save as a python plotting script (default) or png/pdf
Arguments
- PW#
Optional argument(s)
- WANNIER#
Required argument
bandsdist#
Plot bands distance for a group of PwBandsWorkChain and a group of Wannier90BandsWorkChain.
PW is the PK of a group which contains PwBandsWorkChain, WANNIER is the PK of a group which contains Wannier90BandsWorkChain.
aiida-wannier90-workflows plot bandsdist [OPTIONS] PW WANNIER
Options
- -s, --save#
Save bands distance as HDF5
- -m, --match-by-formula#
Find PwBandsWorkChain by formula instead of structure structure
Arguments
- PW#
Required argument
- WANNIER#
Required argument
checkerboard#
Plot bands distance checkerboard a Wannier90OptimizeWorkChain.
aiida-wannier90-workflows plot checkerboard [OPTIONS] WORKCHAIN
Options
- -s, --save#
save as a PNG instead of showing matplotlib window
Arguments
- WORKCHAIN#
Required argument
exportbands#
Export python scripts for comparing a group of PwBandsWorkChain and a group of Wannier90BandsWorkChain.
PW is the PK of a group which contains PwBandsWorkChain,
WANNIER is the PK of a group which contains Wannier90BandsWorkChain, or a BandsData.
aiida-wannier90-workflows plot exportbands [OPTIONS] PW WANNIER
Options
- -s, --savedir <savedir>#
Directory to save exported bands.
- Default:
exportbands
Arguments
- PW#
Required argument
- WANNIER#
Required argument
scdm#
Plot SCDM projectability fitting.
WORKCHAIN is the identifier of a Wannier90WorkChain.
aiida-wannier90-workflows plot scdm [OPTIONS] WORKCHAIN
Options
- -s, --save <save>#
save as a PNG instead of showing matplotlib window
Arguments
- WORKCHAIN#
Required argument