Search found 96 matches

by chill
Mon Jul 12, 2010 11:34 pm
Forum: Bader
Topic: Version Information
Replies: 35
Views: 155287

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...
by chill
Thu May 27, 2010 1:24 am
Forum: Bader
Topic: Version Information
Replies: 35
Views: 155287

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.
by chill
Thu May 27, 2010 1:23 am
Forum: Bader
Topic: Where is the new Bader code?
Replies: 2
Views: 7284

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.
by chill
Mon Dec 07, 2009 8:53 pm
Forum: Bader
Topic: Version Information
Replies: 35
Views: 155287

Re: Version Information

v0.26b 12/07/09

- This version adds atomic volumes to the output of the voronoi calculation
by chill
Mon Aug 10, 2009 6:13 pm
Forum: Bader
Topic: Version Information
Replies: 35
Views: 155287

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...
by chill
Wed Jul 29, 2009 6:45 pm
Forum: Bader
Topic: Version Information
Replies: 35
Views: 155287

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