Created
October 31, 2016 18:02
-
-
Save ehermes/7f42ecb0acc86fcb4a161f3d264de007 to your computer and use it in GitHub Desktop.
This file contains hidden or bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
| kpts, kcart, kcartspecial = bandpath('WLGXWK', si.cell, npoints=100) | |
| si.calc.set(icharg=11, # Read charge density from CHGCAR | |
| kpts=kpts, | |
| isym=0) |
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment