Qin Yi

new rwfnestimate

2

Hello everyone, I install the latest grasp . I see 'rwfnestimate' add a new choice. ``` Read subshell radial wavefunctions. Choose one below 1 -- GRASP92 File 2 -- Thomas-Fermi...

Hi everyone, I find the rtab*.f90 program files convert configurations' quantum labels may not be considered the occupation of electrons in d, f ,g ... subshells over ten. So I...

How to solve the problem "Angular file not available" in rtransition program

3

Hi everyone, I am calculating a case very similar to the grasp2018-manual's fourth example "3l3l' states in Fe XV using MPI". It has two even and two odd configurations. The...

How to improve the usage of computer on rmcdhf_mpi calculation?

7

Hi everyone. Last time I asked a question about rangular calculation, @jongrumer suggested me to expand the memory and I have expanded it to 256GB. But when I use the...

MPI Runtime killed on signal 9 in rangular_mpi

5

Hi, I'm trying to calculate a multi-reference system, which have near (sometimes over) one million states in one blocks. When I use mpi runing the rangular_mpi program, it will always...