kirk0830

In the past the `out_ndigits` controls precision of output in a wider range, while `out_mat_hs` only controls precision of output of itself. I think all the output flags can be...

Noted. However I have some suggestions on your calculation setting and procedures. Does the following description match what you want to calculate? 

> @kirk0830 yes, i think it's quite similar. @lanshuyue if so, I think I would suggest you should relax both side of slab, increasing the thickness of slab or say...

@scott-5 hi, you can find all related parameters here: https://abacus.deepmodeling.com/en/latest/advanced/input_files/input-main.html#pexsi, and yes, pexsi is a kind of ks_solver, examples in examples/pexsi folder may help.

Unfortunately for Gd, none of norm-conserving pseudopotential works well in Gd metallic crystal EOS test, this is because metallic crystal may explicitly need the valence treatment of semicore or near-core...

> In my recollection ,ELF can be calculated by Multifwfn? @kirk0830 So this is a request for ABACUS-Multiwfn interface @QuantumMisaka Multiwfn needs MOLDEN file format, while the transformation from numerical...

> Could you explain a little about your next plan? @WHUweiqingzhou I am afraid that simply declaring the difference between COHP result of ABACUS numerical atomic orbitals and LMTO or...

> can COHP part be `lcao -> lcao` and `pw -> lcao`? Theoretically, COHP is based by atomic orbital, the work of popular software LOBSTER is based by VASP so...

There is a full test on ecutwfc ranges from 20 to 300 Ry, for one who would like to address this issue: [link](https://bohrium.dp.tech/jobs/list?id=2831045&groupName=j-v0.3.107-4fd227/rundft-1&version=v2)

@AroundPeking used to mention a novel family of pseudopotential called ccECP, may be that will work for Na dimer system