Sections

A - B - C - D - E - F - G - H - I - J - K - L - M - N - O - P - Q - R - S - T - U - V - W - X - Y - Z - 0 - 1 - 2 - 3 - 4 - 5 - 6 - 7 - 8 - 9

1

1. A Short Guide & Tutorials

2

2. UserInterface 2.1 Description of the PWTK API 2.2 Specifying Input Data 2.3 Running Quantum ESPRESSO Programs and Pluggins 2.4 Defining Programs and Directories 2.5 Input Data Stacking 2.6 Load and Retrieve Input Data 2.7 Data Retrieval and Atomic Structures 2.8 Batch Queuing Support 2.9 Remote and parallel execution of PWTK scripts

3

3. Workflows

4

4. Examples 4.0 Input Data Specs 4.1 Basic Examples 4.2 Plugin Examples 4.3 Workflow Examples 4.4 Job Scheduler Examples 4.5 Concurrent and Remote Execution Examples 4.6 Run Modifiers Examples 4.7 Miscellaneous Examples

5

5. API 5.0 Querying Useful Info 5.1. Inputs 5.2. Outputs 5.3. Run Calculations 5.3.1. Run Programs (plain way) 5.3.2. Run Supported Programs (aka runCmd) 5.3.3. Run Modifiers 5.3.4. Run Utilities 5.3.5. Background and Remote and Delayed Execution 5.3.6. Run Auxiliaries 5.3.7. Propagate 5.4. Directories and Pseudopotentials 5.5. Executions 5.6. Structural Utilities 5.7. Workflows 5.8. Parameter Scans 5.9. Batch Queuing 5.A. Plotting 5.B. Miscellaneous

A

all_currents.x input ARTN input Atoms

B

Background Execution Backgrounds BADER band_interpolation.x input BANDS bands.x input bgw2pw.x input

C

CALCMOL Cards Conditionals cp.x input cppp.x input

D

d3hess.x input Delayed Execution Deprecated DIFDEN DOS dos.x input dynmat.x input dynmat.x output

E

ENVIRON input EOS Evals-Execs-Errors

F

FileUtilities FLO

G

Generic input support generic_struct_utils Gnuplot

H

hp.x input

I

Images Individual Executables Internals

K

kcw.x input

L

LaTeX ld1.x input Linear-response inputs Lists LOBSTER

M

matdyn.x input Math MathParser Messaging molecularpdos.x input MOPDOS

N

Namelists NEB neb.x input neb.x output neb.x utilities nebi_struct_utils

O

OSCDFT input oscdft_et.x input oscdft_pp.x input

P

PDOS ph.x input Plain run and runXX commands Plugins postahc.x input pp.x input ppacf.x input pprism.x input Processes Programs projwfc.x input PSEUDO pw.x and cp.x utilities pw.x input pw.x output pw2bgw.x input pw2gw.x input pw2wannier90.x input pwcond.x input pwi_struct_utils PWTK

Q

q2r.x input QE-AutoInputs Queue-generic-API Quoting

R

Remote auxiliaries Remote Execution

S

SBCO Scripts Sequences SimpleWorkflows smiles Stacking

T

TextUtilities Thread-pools Threads Time turbo_davidson.x input turbo_eels.x input turbo_lanczos.x input turbo_magnon.x input turbo_spectrum.x input Types

V

Variables Viewers

X

XCrySDen xsf_struct_utils

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