Search results

Consolidate and Simplify Spin-related Parameters:

documentationImprovements or additions to documentationImprovements or additions to documentation

enhancementNew feature or requestNew feature or request

good first issueGood for newcomersGood for newcomers

Status: Open.

#97 In sblisesivdin/gpaw-tools;

· sblisesivdin opened on Mar 26, 2025

Consolidate and Simplify Geometry Optimization Parameters

documentationImprovements or additions to documentationImprovements or additions to documentation

enhancementNew feature or requestNew feature or request

good first issueGood for newcomersGood for newcomers

Status: Open.

#96 In sblisesivdin/gpaw-tools;

· sblisesivdin opened on Mar 26, 2025

Introduce Separate K-Point Parameters for Post-Ground State Calculations

documentationImprovements or additions to documentationImprovements or additions to documentation

enhancementNew feature or requestNew feature or request

good first issueGood for newcomersGood for newcomers

Status: Open.

#95 In sblisesivdin/gpaw-tools;

· sblisesivdin opened on Mar 26, 2025

Transition of Project Website to a Single-Page Format

documentationImprovements or additions to documentationImprovements or additions to documentation

enhancementNew feature or requestNew feature or request

Status: Open.

#94 In sblisesivdin/gpaw-tools;

· sblisesivdin opened on Mar 25, 2025

Make all errors and warnings similar

Status: Open.

#90 In sblisesivdin/gpaw-tools;

· sblisesivdin opened on Mar 15, 2025

Directly calling calculations with file locations

enhancementNew feature or requestNew feature or request

Status: Open.

#84 In sblisesivdin/gpaw-tools;

· sblisesivdin opened on Nov 5, 2024

Optical Calculation with BSE gives an error

bugSomething isn't workingSomething isn't working

Status: Open.

#83 In sblisesivdin/gpaw-tools;

· sblisesivdin opened on Oct 29, 2024

TiC example gives an error on band calculation

bugSomething isn't workingSomething isn't working

Status: Open.

#81 In sblisesivdin/gpaw-tools;

· sblisesivdin opened on Oct 29, 2024

G0W0 Problem

bugSomething isn't workingSomething isn't working

Status: Open.

#78 In sblisesivdin/gpaw-tools;

· sblisesivdin opened on Jan 1, 2024

Is <code>shrinkgpw.py</code> necessary?

enhancementNew feature or requestNew feature or request

invalidThis doesn't seem rightThis doesn't seem right

Status: Open.

#44 In sblisesivdin/gpaw-tools;

· beyzalisesivdin opened on Dec 13, 2021

Need to use many XC functionals with gpawsolve.py

help wantedExtra attention is neededExtra attention is needed

Status: Open.

#30 In sblisesivdin/gpaw-tools;

· sblisesivdin opened on Nov 9, 2021

Better Python usage?

enhancementNew feature or requestNew feature or request

help wantedExtra attention is neededExtra attention is needed

questionFurther information is requestedFurther information is requested

Status: Open.

#9 In sblisesivdin/gpaw-tools;

· sblisesivdin opened on Sep 17, 2021