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About the Atomate category
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1
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206
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November 11, 2019
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Check the forces after DFPTFW
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0
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30
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February 16, 2021
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Customize KPOINTs without using user_kpoints_settings (dict)
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3
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47
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February 3, 2021
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Error running wf_raman_spectra due to modifying incar
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10
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90
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January 15, 2021
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Authentication failed for calculation on clusters
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15
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1147
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January 6, 2021
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Best practices for completing a workflow
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1
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96
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December 17, 2020
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My Simple custom validator similar to VaspFilesValidator is not working!
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0
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55
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December 7, 2020
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How to modify parameters before rerun fws?
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0
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90
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November 25, 2020
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Band structure workflow
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2
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88
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November 13, 2020
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MagneticOrderingsWF gives RuntimeError with `scan=True`
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11
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342
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November 11, 2020
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Error of ferroelectric workflow generation
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3
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150
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October 23, 2020
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Creating new workflow with vdw
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5
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150
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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
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89
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October 22, 2020
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Large chunk files in MongoDB database
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2
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78
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October 16, 2020
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Slab relaxation and MongoDB output missing
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5
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358
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October 6, 2020
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Errors in get_wf_bulk_modulus
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2
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154
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October 5, 2020
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Error running MgO tutorial for atomate
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2
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106
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October 3, 2020
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MaxForceErrorHandler?
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1
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138
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October 1, 2020
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Get_wf_neb_from_structure workflow produces run_dest_root KeyError
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0
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67
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September 10, 2020
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Best way to strain crystal and calculate dielectric tensor
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1
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109
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August 31, 2020
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Firework Fizzles, although VASP Run Completes
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3
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205
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August 28, 2020
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Problems about running calculations with Slurm
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2
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155
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August 6, 2020
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Insert vasprun.xml with VaspToDb Task
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2
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141
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August 6, 2020
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Followed "running a workflow" tutorial, but fireworks are always "waiting"
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1
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109
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August 3, 2020
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Vasp_input_set used in get_wf_elastic_constant
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3
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107
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July 17, 2020
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Db.json: Authentication failed
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4
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206
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July 10, 2020
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custodian.custodian.ValidationError in Installing atomate
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9
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339
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June 10, 2019
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ModuleNotFoundError: No module named 'atomate'
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0
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122
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June 16, 2020
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Problems of the setting for my_qadapter.yaml with torque
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1
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112
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June 16, 2020
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custodian.custodian.ValidationError during launching calculations
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9
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511
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June 15, 2020
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