Dear Siesta users and developers, I use Siesta for predicting high-presurre phases of different materials. Siesta uses a localization procedure to construct its basis function. Does the characteristic localization length vary systematically with the cell volume? If so, how can I estimate the effect of volume-dependent basis on the phase transitions and the total energy calculations?
I have looked at the paper by J. Junquera et al. Phys. Rev. B 64, 235111 (2001). It seems that the basis sets in SIESTA are not volume dependent. Am I right? Thanks for your help. Sincerely yours, Mohammad
