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Customize KPOINTs without using user_kpoints_settings (dict)
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3
|
1050
|
February 3, 2021
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Error running wf_raman_spectra due to modifying incar
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10
|
735
|
January 15, 2021
|
|
Authentication failed for calculation on clusters
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15
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3199
|
January 6, 2021
|
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Best practices for completing a workflow
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1
|
549
|
December 17, 2020
|
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My Simple custom validator similar to VaspFilesValidator is not working!
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|
0
|
414
|
December 7, 2020
|
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How to modify parameters before rerun fws?
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0
|
456
|
November 25, 2020
|
|
Band structure workflow
|
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2
|
647
|
November 13, 2020
|
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MagneticOrderingsWF gives RuntimeError with `scan=True`
|
|
11
|
1080
|
November 11, 2020
|
|
Creating new workflow with vdw
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5
|
1080
|
October 23, 2020
|
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My Validator that checks existence of a file was unable to get recognized by atomate!
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0
|
418
|
October 22, 2020
|
|
Large chunk files in MongoDB database
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|
2
|
468
|
October 16, 2020
|
|
Slab relaxation and MongoDB output missing
|
|
5
|
1332
|
October 6, 2020
|
|
Errors in get_wf_bulk_modulus
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2
|
652
|
October 5, 2020
|
|
Error running MgO tutorial for atomate
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2
|
701
|
October 3, 2020
|
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MaxForceErrorHandler?
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|
1
|
511
|
October 1, 2020
|
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Get_wf_neb_from_structure workflow produces run_dest_root KeyError
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0
|
432
|
September 10, 2020
|
|
Best way to strain crystal and calculate dielectric tensor
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|
1
|
639
|
August 31, 2020
|
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Firework Fizzles, although VASP Run Completes
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3
|
967
|
August 28, 2020
|
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Problems about running calculations with Slurm
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|
2
|
487
|
August 6, 2020
|
|
Insert vasprun.xml with VaspToDb Task
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|
2
|
523
|
August 6, 2020
|
|
Followed "running a workflow" tutorial, but fireworks are always "waiting"
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|
1
|
435
|
August 3, 2020
|
|
Vasp_input_set used in get_wf_elastic_constant
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|
3
|
541
|
July 17, 2020
|
|
Db.json: Authentication failed
|
|
4
|
824
|
July 10, 2020
|
|
custodian.custodian.ValidationError in Installing atomate
|
|
9
|
1440
|
June 10, 2019
|
|
ModuleNotFoundError: No module named 'atomate'
|
|
0
|
503
|
June 16, 2020
|
|
Problems of the setting for my_qadapter.yaml with torque
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|
1
|
471
|
June 16, 2020
|
|
custodian.custodian.ValidationError during launching calculations
|
|
9
|
1489
|
June 15, 2020
|
|
Problem in deleting Fireworks
|
|
1
|
481
|
May 30, 2020
|
|
Questions about atomate installation
|
|
1
|
635
|
May 18, 2020
|
|
Best practice to put the output data(e.g. total energy) of VASP in the fw_spec
|
|
2
|
795
|
May 4, 2020
|