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Crystal17 fails to write correct symmetry operations in fort.34 file

Status: Open.

#73 In tilde-lab/aiida-crystal-dft;

· akvatol opened on Nov 6, 2024

Successful CRYSTAL output is treated as erroneous in a workflow

blocker

bugSomething isn't workingSomething isn't working

enhancementNew feature or requestNew feature or request

Status: Open.

#71 In tilde-lab/aiida-crystal-dft;

· blokhin opened on Jul 21, 2024

Failing *recursive_update* due to the details in the template

bugSomething isn't workingSomething isn't working

Status: Open.

#66 In tilde-lab/aiida-crystal-dft;

· blokhin opened on Dec 18, 2022

Non-informative errors if yascheduler fails

bugSomething isn't workingSomething isn't working

enhancementNew feature or requestNew feature or request

Status: Open.

#63 In tilde-lab/aiida-crystal-dft;

· blokhin opened on Aug 21, 2022

Additional workflow step to check a non-magnetic state energy

enhancementNew feature or requestNew feature or request

Status: Open.

#62 In tilde-lab/aiida-crystal-dft;

· blokhin opened on Aug 16, 2022

Cosmetic improvement of the exponential notation

enhancementNew feature or requestNew feature or request

Status: Open.

#58 In tilde-lab/aiida-crystal-dft;

· blokhin opened on Apr 8, 2021

AiiDA apparently confuses *p*- and *sp*-orbitals in our basis set implementation

bugSomething isn't workingSomething isn't working

enhancementNew feature or requestNew feature or request

Status: Open.

#57 In tilde-lab/aiida-crystal-dft;

· blokhin opened on Mar 28, 2021

guess_spinlock: NotImplementedError: Structure does not contain transition elements

bugSomething isn't workingSomething isn't working

enhancementNew feature or requestNew feature or request

Status: Open.

#56 In tilde-lab/aiida-crystal-dft;

· blokhin opened on Mar 28, 2021

Verdi daemon workers may consume all the RAM easily

invalidThis doesn't seem rightThis doesn't seem right

questionFurther information is requestedFurther information is requested

Status: Open.

#55 In tilde-lab/aiida-crystal-dft;

· blokhin opened on Mar 28, 2021

MPDS-AiiDA workflow has internal check inconsistency

bugSomething isn't workingSomething isn't working

enhancementNew feature or requestNew feature or request

Status: Open.

#54 In tilde-lab/aiida-crystal-dft;

· blokhin opened on Mar 28, 2021

Phonon template problem

bugSomething isn't workingSomething isn't working

enhancementNew feature or requestNew feature or request

Status: Open.

#53 In tilde-lab/aiida-crystal-dft;

· blokhin opened on Feb 22, 2021

Add *get_geometry* from MPDS workflows to the *outline*

enhancementNew feature or requestNew feature or request

Status: Open.

#52 In tilde-lab/aiida-crystal-dft;

· blokhin opened on Feb 12, 2021