Mohan Chen

icon indicating a website link http://www2.coe.pku.edu.cn/subpaget.asp?id=660 icon indicating an email [email protected]

icon company Peking University icon location Beijing icon location I am a tenured associate professor at Peking University, Beijing, P. R. China

Results 110 comments of Mohan Chen

SOC test set request

We will close this issue since no more progress will be expected based on this issue. We always welcome new issues.

Bug: CANNOT install ABACUS via gcc-mkl toolchain

We will close this issue since the compile option has been changed. We always welcome new issues.

How to switch the direction of the quantization axis of spin from z axis to x or y axis

I may not be familiar with this isseu, @dyzheng do you have comments?

LR-TDDFT Implementation

This has been done. Great job!

how to draw the picture of wave functions?

ABACUS 输出部分的电荷密度和波函数及可视化教程 · GitBook https://mcresearch.github.io/abacus-user-guide/abacus-chg.html

Refactor&Feature: a new module Representation will be added for representation transform

We will close this issue since no more detailed plans will be made in the near future. We always welcome new issues to discuss this feature.

Error while performing DFT+U calculations on FeO

Any progress for standard systems like FeO?

Test: should we also make CI test by using Intel Env?

I don't see any further actions so I close it. If someone needs extra actions, feel free to reopen the issue.

SIAB numerical atomic orbitals generating package is not working due to the deletion of keyword `printe`

Thanks, we should think of a solution to solve the issue.

SIAB numerical atomic orbitals generating package is not working due to the deletion of keyword `printe`

Users can try to use this command in new version: out_band Type: Boolean [Integer](optional) Description: Whether to output the eigenvalues of the Hamiltonian matrix (in eV) into the running log...