A phonon calculation package based on dflow
Project description
dflow-phonon
使用方法：
pip install --index-url https://pypi.org/simple/ --no-deps dflow-phonon
之后进入一个example文件夹，填写global.json
如果调用VASP： dflowphonon --vasp 如果使用DP势函数： dflowphonon --dp 如果调用ABACUS：dflowphonon --abacus
然后在https://workflows.deepmodeling.com 监控任务进程
Project details
Release history Release notifications | RSS feed
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
dflow-phonon-0.0.14.tar.gz
(7.9 kB
view hashes)
Built Distribution
Close
Hashes for dflow_phonon-0.0.14-py3-none-any.whl
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | 0431ff46b276c8dd9c0d33cd39f0a6d7c995d9e0e7bdcf4e5c263193576050fa |
|
| MD5 | fb5a37ec3dc73aa9d7db0026b4c26cb7 |
|
| BLAKE2b-256 | 684c4de5c4f970273476aa2cac332460b8e541a6c46fcbbf59ced25dd2360607 |
