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Code for structural analysis of atomic systems from DFT calculations, uses the output of QuantumEspresso.

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A code that utilizes an expansion of the unit cell energy in parameter space (around the equilibrium structure) to compute the structure and its response to pressure (bulk modulus) based on QuantumEspresso calculations of the unit cell.

Will in the future also include the structural response to stress (Young's modulus), shear (shear modulus) as well as Poissons ratio and elastic coefficients.

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Code for structural analysis of atomic systems from DFT calculations, uses the output of QuantumEspresso.

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