Hi again
I hate to be a pain in the b**, but I downloaded the new file binary (I also downloaded the source and compiled it myself), and everything works, except if I try to use the new -p bader_index or -p atom_index options. If I try this, I get a segmentation fault.
On the upside, I tried to ...
Search found 3 matches
- Tue Jun 10, 2008 8:27 am
- Forum: Bader
- Topic: Obtaining the dividing surfaces
- Replies: 5
- Views: 17333
- Mon Jun 09, 2008 7:58 am
- Forum: Bader
- Topic: Obtaining the dividing surfaces
- Replies: 5
- Views: 17333
Re: Obtaining the dividing surfaces
Hi, and thanks for the quick response.
As the chgcar files should work, I downloaded the vaspview program (vmd doesn't seem to support chgcar files), and analysed my density (cube) file using
$ bader -i cube -o chgcar -p atom_all density.cube
But looking at the output files (BvAt00x.dat) it seems ...
As the chgcar files should work, I downloaded the vaspview program (vmd doesn't seem to support chgcar files), and analysed my density (cube) file using
$ bader -i cube -o chgcar -p atom_all density.cube
But looking at the output files (BvAt00x.dat) it seems ...
- Fri Jun 06, 2008 12:41 pm
- Forum: Bader
- Topic: Obtaining the dividing surfaces
- Replies: 5
- Views: 17333
Obtaining the dividing surfaces
Hi, I downloaded a code binary a few days ago (on 2/6-08) and have the following problems:
I used to be able to get a cube file called bader_rho.dat which had integer values describing the domain of each bader volume. This was in my opinion the single most usefull output of the code, as I could get ...
I used to be able to get a cube file called bader_rho.dat which had integer values describing the domain of each bader volume. This was in my opinion the single most usefull output of the code, as I could get ...