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CRYSTAL
Discuss features, updates, and general use of the CRYSTAL software.
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Topics
2
Posts
Subcategories
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Single Point Calculations
SCF and thresholds, DFAs, SPIN
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Lattice Dynamics
Harmonic and Anharmonic Frequencies, Phonons, Vibrational Spectra, Thermochemistry, QHA
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Strain Calculations
Elasticity, Piezoelectricity, Photoelectricity
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General Questions
Questions that do not fit in other categories.