Thanks Great Graeme
Your reply help me to look at my CHGCAR again.
and I got my problem.
Thanks
Anteneh
Search found 3 matches
- Fri Jun 07, 2013 2:44 pm
- Forum: Bader
- Topic: Problems to analyse the PDOS in Bader volume
- Replies: 2
- Views: 15438
- Thu Jun 06, 2013 8:51 pm
- Forum: Bader
- Topic: Problems to analyse the PDOS in Bader volume
- Replies: 2
- Views: 15438
Problems to analyse the PDOS in Bader volume
Hi,
I'm a new user on bader and I use this command
bader -p atom_index -ref CHGCAR_sum -vac auto CHGCAR
But I got the following error. Pls what is the problem on my calculation
GRID BASED BADER ANALYSIS (Version 0.28a 07/12/12)
Image PC Routine Line Source
bader 00000000004B9FDE Unknown Unknown ...
I'm a new user on bader and I use this command
bader -p atom_index -ref CHGCAR_sum -vac auto CHGCAR
But I got the following error. Pls what is the problem on my calculation
GRID BASED BADER ANALYSIS (Version 0.28a 07/12/12)
Image PC Routine Line Source
bader 00000000004B9FDE Unknown Unknown ...
- Wed May 22, 2013 4:23 am
- Forum: Bader
- Topic: How To get MODECAR?
- Replies: 1
- Views: 13719
How To get MODECAR?
I'm a new user of this site. Pls how coluld I generate MODECAR from a given POSCAR.
I used modemake.pl but it needs two files, POSCAR1 and POSCAR2. How could I generate these two poscar files?
THANKS
ANTENEH
I used modemake.pl but it needs two files, POSCAR1 and POSCAR2. How could I generate these two poscar files?
THANKS
ANTENEH