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About the Atomate category
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1
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297
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November 11, 2019
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Option to copy CHGCAR or WAVECAR from prev_calc_loc or prev_calc_dir in StaticFW
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2
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28
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September 22, 2021
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Make a lammps data file including: Atoms position, bonds, angles, dihedrals
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0
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27
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September 13, 2021
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How to parse the AFM structure and save structure treating the site with different magnetic moment as if different elements
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5
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61
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September 10, 2021
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Does atomate/pymatgen do re-relax?
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2
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46
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September 9, 2021
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Error for creating workflow with atomate
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0
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43
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August 27, 2021
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Wf_dielectric_constant fails with KeyError: 'piezo_ionic_tensor' after relaxation
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7
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100
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August 23, 2021
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Pymatgen complaining about missing deprecated POTCAR files
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6
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141
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August 19, 2021
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How to write a parameters to YAML file denpends on workflow
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0
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45
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July 7, 2021
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What is the difference between the "default" and "strict" sets of Custodian error handlers?
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1
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59
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June 25, 2021
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Atomate.vasp.workflows not working
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5
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71
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June 22, 2021
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Error running VASP in offline mode
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4
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321
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May 28, 2021
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Insertion Worflow optimizefw_kwargs Issue
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11
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121
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May 28, 2021
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Ferroelectric job error
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4
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505
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May 18, 2021
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Error of ferroelectric workflow generation
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4
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264
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May 18, 2021
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Bug: Import statements from Pymatgen are outdated w/ newest version
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6
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192
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April 30, 2021
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Documentation Problems
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1
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95
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April 30, 2021
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Properly setting ncores for batch VASP runs
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4
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97
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March 25, 2021
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General Mongodb management question
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2
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119
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March 20, 2021
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Automating convergence testing
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3
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273
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March 20, 2021
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Plotting Raman Tensor workflow results
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0
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68
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March 15, 2021
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Missing Documentation on
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0
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83
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March 11, 2021
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Check the forces after DFPTFW
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0
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77
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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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121
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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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181
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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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1660
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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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165
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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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109
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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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159
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November 25, 2020
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Band structure workflow
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2
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161
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November 13, 2020
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