The CASINO forum

Thanks very much for maintaining molden2qmc!

Dear All,

Please consider submitting an abstract for the QMC symposium at the 2022 Psi-k conference in Lausanne. See https://www.psik2022.net/program/symposia. The deadline for early-bird registration is the 31st of May.

Best wishes,

Neil.

The Hartree-Fock nodes in the Be atom can easily be shown to be qualitatively wrong. However, since nodes for most other systems are also qualitatively wrong, I'm not sure why the Be atom should necessarily be so much worse. I'm not sure why you say that backflow between same-spin electrons is usele...

Sorry, the comments about system size are obviously irrelevant in this case. But somewhere in the local energy landscape in configuration space there must have been some feature that led to lots of configuration branching, even though your overall wave function is good. Note that this doesn't invali...

Dear Vladimir, That message means that the rate at which the walkers are branching is comparable with the rate at which they are decorrelating due to propagation in imaginary time. Hence each walker is similar to its sibling walkers (produced in the same branching event). Thus the walkers are not st...

Lancaster University, United Kingdom Physics Salary: £36,382 to £40,927 Closing Date: Friday 08 October 2021 Interview Date: Thursday 04 November 2021 Reference: A3509 The Department of Physics seeks to appoint a full-time Lecturer to enhance and complement our thriving activities in theoretical co...

Dear Vladimir, For configuration-by-configuration DMC (in CASINO at least), the effective time step for any particular configuration that has just moved is tau_eff= p .tau, where p is the configuration-move acceptance probability and tau is the real time step. The mean effective time step tau_EFF=<t...

Dear Vladimir, Thanks very much for this. As you suggest, replacing if(k>1.and.m<N_phi_eN(set))C(n,p+nphi-1*inc_k+1*inc_m)=-real(m,dp) with if(k>1.and.m<N_phi_ee(set))C(n,p+nphi-1*inc_k+1*inc_m)=-real(m,dp) in pbackflow.f90 should be correct. (I've checked with Pablo.) Sorry about the problem. Best ...

PhD Studentship Quantum Monte Carlo Simulation of Charge Carriers in Two-Dimensional Semiconductors Supervisor Dr Neil Drummond (Department of Physics, Lancaster University, Lancaster, UK) Funded PhD Research Project Applications are invited for a fully-funded PhD research studentship held in the C...

Dear Ankush, The structure factor plotted by plot_expval is normalised such that the total structure factor S(k) -> 1 as k->oo, where S(k) = sum_a sum_b S_ab(k), where a and b denote spins. Different normalisation conventions are used in the literature (differing by factors of density N/Omega and ce...