Skip to content

Commit 844eeb3

Browse files
ouqi0711caic99
andauthored
Update input-main.md (#1167)
* Update input-main.md Delete the link for the deepks branch, which is not available anymore. * Update docs/input-main.md Co-authored-by: Chun Cai <amoycaic@gmail.com> Co-authored-by: Chun Cai <amoycaic@gmail.com>
1 parent 706836c commit 844eeb3

File tree

1 file changed

+2
-2
lines changed

1 file changed

+2
-2
lines changed

docs/input-main.md

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -942,7 +942,7 @@ This part of variables are used to control the calculation of DOS.
942942
### DeePKS
943943
944944
This part of variables are used to control the usage of DeePKS method (a comprehensive data-driven approach to improve accuracy of DFT).
945-
Warning: this function is not robust enough for version 2.2.0. Please try these variables in <https://github.com/deepmodeling/abacus-develop/tree/deepks> .
945+
Warning: this function is not robust enough for the current version. Please try the following variables at your own risk:
946946
947947
#### deepks_out_labels
948948
@@ -1642,4 +1642,4 @@ Thermal conductivities: $\kappa = \lim_{\omega\to 0}\kappa(\omega)$
16421642
16431643
- **Type**: Integer
16441644
- **Description**: We use gaussian functions to approxiamte $\delta(E)\approx \frac{1}{\sqrt{2\pi}\Delta E}e^{-\frac{E^2}{2{\Delta E}^2}}$. FWHM for conductivities, $FWHM=2*\sqrt{2\ln2}\cdot \Delta E$. The unit is eV.
1645-
- **Default**: 0.3
1645+
- **Default**: 0.3

0 commit comments

Comments
 (0)