The CASINO forum

If you are doing a "typical" QMC project in which you are interested in DMC energies obtained with Slater-Jastrow trial wave functions then I suggest you stick to variance minimisation. In particular, the varmin_linjas method allows you to carry out optimisations relatively cheaply. The re...

Dear Sweyn, The usual advice is to restrict the cutoff lengths for chi and f to something of the order of a bond-length or so, but to allow the cutoff length for u to be as large as possible (ideally the radius of the largest sphere that can be inscribed in the WIgner-Seitz cell of the simulation ce...

CASINO can be used to investigate some magnetic properties by calculating the energies of different spin configurations. It is not obvious how QMC can be used to calculate transport properties directly. However, QMC can be used to determine points on a band structure with high accuracy; one can then...