Search found 96 matches
- Mon Jul 12, 2010 11:34 pm
- Forum: Bader
- Topic: Version Information
- Replies: 36
- Views: 259681
Re: Version Information
Wenjie wrote : > v0.27 05/17/10 > > Adds new flag "-vac". The usage is "[ -vac off | auto | > vacuum_density ] ". > > This flag determines whether low charge density values are assigned to a > vacuum Bader volume. This flag is off by default. If the flag is turned > on, points wi...
- Thu May 27, 2010 1:24 am
- Forum: Bader
- Topic: Version Information
- Replies: 36
- Views: 259681
Re: Version Information
We updated the version information topic prematurely. We need to do some more testing before we can release the latest version. Sorry for the confusion.
- Thu May 27, 2010 1:23 am
- Forum: Bader
- Topic: Where is the new Bader code?
- Replies: 2
- Views: 9218
Re: Where is the new Bader code?
We updated the version information topic prematurely. We need to do some more testing before we can release the latest version. Sorry for the confusion.
- Mon Dec 07, 2009 8:53 pm
- Forum: Bader
- Topic: Version Information
- Replies: 36
- Views: 259681
Re: Version Information
v0.26b 12/07/09
- This version adds atomic volumes to the output of the voronoi calculation
- This version adds atomic volumes to the output of the voronoi calculation
- Mon Aug 10, 2009 6:13 pm
- Forum: Bader
- Topic: Version Information
- Replies: 36
- Views: 259681
Re: Version Information
v0.26a 08/07/09 - Added output for the voronoi analysis - Fixed the problem with car2lat matrix on chgcar_mod.f90 and cube_mod.f90. The original one is not correct - Fixed the dir2car and car2dir matrix in cube_mod.f90, the original ones are the transpose form of the correct ones. All the matrix pro...
- Wed Jul 29, 2009 6:45 pm
- Forum: Bader
- Topic: Version Information
- Replies: 36
- Views: 259681
Re: Version Information
v0.26 07/28/09
- changed the default method for edge refinement
Using the new method only points around reassigned points are checked during refinements. Whereas the old method checks every edge point during each refinement iteration.
To use the old method:
bader -r -2 CHGCAR
- changed the default method for edge refinement
Using the new method only points around reassigned points are checked during refinements. Whereas the old method checks every edge point during each refinement iteration.
To use the old method:
bader -r -2 CHGCAR