The CASINO forum

I am wondering how runtime is influenced by a.) the blip multiplicity and b.) the parameters in the Jastrow: I expect that that the answer to a.) is: runtime is independent of blip multiplicity since each point in space is only contained in 3 B-splines (per dimension) independently of the multiplity...

I have figured some of the answers out myself: ad 1.) performing the numerical integral using the blip facility is numerically prohibitive for larger systems at the moment. ad 2.) these energies thus have to be pwfn kinetic energies and can therefore be compared with the vmc kinetic enegies for peri...

Hi, I just tried to run varmin_linjas with a large expansion in u (6 params), chi (6 params) and f(4x4 params) (discerning spin-same and spin-different coefficients). However, the program stops execution, without giving me any further information: Performing variance minimization using Varmin_linjas...

I am generating bwnf.data.b1 files directly from pw-scf (using pw.x -pw2casino and having a pw2casino.dat file). And have several questions concerning this: 1.) I need to make sure my blip conversion is converged and would thus like to perform kinetic energy tests. Is this possible or can I only per...