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Apparent bug handling alternative space group settings
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1
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26
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August 8, 2025
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Phonon Density of State (PDOS) using GULP
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1
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30
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August 1, 2025
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How to plot phonon dispersion from GULP output files
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1
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29
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July 14, 2025
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How to enhance the accuracy of the Phonon calculations?
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3
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38
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July 12, 2025
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Interaction energy with GFN-FF
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2
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36
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July 11, 2025
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Pgfnf optimized molecule explode (sulphur polymorph)
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8
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43
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June 26, 2025
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Calculating electrostatic potential in GULP to be able to add it to MACE energy
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4
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47
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June 22, 2025
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GULP and MACE
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2
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46
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June 20, 2025
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Charge Neutrality Problem
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7
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50
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June 12, 2025
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The result of GULP run depends on MPI parallelizm
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4
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39
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June 4, 2025
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WARNING : Breaking symmetry due to perfect biradical
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4
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29
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May 14, 2025
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Difference in Four-body potentials between GULP and LAMMPS
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1
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25
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May 12, 2025
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Bond parameter fitting
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1
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28
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April 4, 2025
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Wrong bonding in output cif file
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14
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135
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March 27, 2025
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Writing the charges and bond order
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4
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36
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March 27, 2025
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Deviation in Buckingham Potential Parameter Optimization
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1
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37
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March 25, 2025
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How to obtain the internal stress of initial geometry
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5
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34
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March 21, 2025
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Difference in single point energy between GULP and LAMMPS
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2
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26
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March 19, 2025
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Variation in Anion-Anion Core-Shell Charges Across Different Cases
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1
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11
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March 13, 2025
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Strategies for Varying Multiple Parameters (variables) with Limited Observables
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1
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13
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March 13, 2025
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Charge Neutrality Error in Potential Calculation
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1
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14
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March 13, 2025
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How to use alamode correctly
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3
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42
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March 12, 2025
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Gulp compilation in parallel
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3
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40
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March 5, 2025
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Fixing Ionic Positions in Mott-Littleton Calculations
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8
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37
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March 4, 2025
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<< Compiling error in phonond.F90 >>
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5
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59
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February 26, 2025
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Specifying bonds only for asymmetric unit cell parts
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4
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26
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February 24, 2025
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Compiling GULP using cray compilers on Archer2
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1
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23
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February 23, 2025
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Calibrating the GULP results against results done in similar software?
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0
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20
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February 17, 2025
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Best force field for organic molecular crystals?
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2
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51
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February 10, 2025
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User-specified connectivity for a spring network application
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2
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20
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February 2, 2025
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