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How DFT-D3 affects 3-d vs. layered structures
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0
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313
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July 11, 2022
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Materials Studio, Charges
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2
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531
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June 22, 2022
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Molecular modeling of diatomic molecules
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4
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430
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June 14, 2022
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Change xyz coordinates
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0
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321
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May 24, 2022
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I want to use one of the potentials on NIST , but how can I implement them like Al-Au-Si
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2
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448
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March 2, 2022
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X- Ray diffraction
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1
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401
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February 10, 2022
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The comparison of bandgap value of slab and bulk phase
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1
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899
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February 8, 2022
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Managing Research Software Projects Workshop
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0
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351
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September 8, 2021
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How best to post FYI of upcoming conferences?
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2
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382
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May 14, 2021
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Asking something about CP2K
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0
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487
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April 22, 2021
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How do people handle uncertainty in simulation/experimental data for a model?
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0
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426
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March 31, 2021
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Outage Log
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1
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475
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February 18, 2021
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DFT calculation on Sn and/or SnOx
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0
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443
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December 2, 2020
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Hello, everyone i m new here. And i m trying to make a input file for CnZn cluster , and i m stucked while making it. So, can anyone help me?Thanks in advanced
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0
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422
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October 14, 2020
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Alter stoichiometry of existing compounds/recalculate
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2
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439
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September 22, 2020
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DFT Charge density vs FTIR analysis
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0
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932
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September 20, 2020
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Wrong projection of wannier functions
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2
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518
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September 8, 2020
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VASP DOS calculations for metal Hexacyanoferrates
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8
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2438
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August 28, 2020
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Materials Science Community Forum Charter
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1
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1055
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August 26, 2020
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ML in predicting the starting composition
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7
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637
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June 30, 2020
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Questions force field for silica crystal
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0
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588
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May 28, 2020
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Notice: change of url to just "matsci.org" and project shortcuts
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0
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508
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May 6, 2020
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Create 3D model of crystal silica
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1
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753
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May 3, 2020
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