上传者: 42609005
|
上传时间: 2021-07-19 10:03:20
|
文件大小: 12KB
|
文件类型: GZ
For vasp.5.4.4.18Apr17-6-g9f103f2a35
The following patch addresses a few issues:
Fixes a bug in the stress term when using the SCAN functional in certain pathological cases.
Fixes a bug in the Thomas-Fermi potential.
Fixes a bug that affected the optB88 for some atoms and molecules.
Fixes some issues with the BSE at finite q.
and adds support for:
The CX13 vdW-DFT functional.
To apply this patch gunzip the patch file and
patch -p0 < patch.5.4.4.16052018
within your vasp.X.X.X root-directory.