This paper describes a scientific workflow for  ab initio  calculations of elastic coefficients ( Cij ) of crystalline materials implemented in the  VLab  Cyberinfrastructure [da Silveira et al., 2008]. This workflow has recently been upgraded to treat crystals of all symmetries and integrated in the XSEDE. First we review the underlying  Cij  calculations and list explicitly different requirements for each Bravais lattice. We also describe the workflow management and its general method for handling actions. We illustrate the  Cij  application with a calculation of diamond's elastic coefficients at high pressures. We conclude with an outlook of future implementation plans.
['Pedro R. C. da Silveira', 'Lahiru Gunathilake', 'Alexander Holiday', 'D. A. Yuen', 'M. Núñez Valdez', 'Renata M. Wentzcovitch']
Ab initio elasticity workflow in the VLab science gateway