Problems to analyse the PDOS in Bader volume

Bader charge density analysis

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edenantish
Posts: 3
Joined: Fri May 03, 2013 8:28 pm

Problems to analyse the PDOS in Bader volume

Post by edenantish »

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 Unknown
bader 00000000004B8A76 Unknown Unknown Unknown
bader 00000000004772F2 Unknown Unknown Unknown
bader 0000000000436EBB Unknown Unknown Unknown
bader 0000000000436422 Unknown Unknown Unknown
bader 00000000004556B4 Unknown Unknown Unknown
bader 0000000000412922 Unknown Unknown Unknown
bader 0000000000402DB6 Unknown Unknown Unknown
bader 0000000000402D0C Unknown Unknown Unknown
libc.so.6 0000003F88A1ECDD Unknown Unknown Unknown
bader 0000000000402C09 Unknown Unknown Unknown
Thanks,
Anteneh
graeme
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Posts: 2276
Joined: Tue Apr 26, 2005 4:25 am
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Re: Problems to analyse the PDOS in Bader volume

Post by graeme »

If you post your CHGCAR and CHGCAR_sum files here, we'll take a look.
edenantish
Posts: 3
Joined: Fri May 03, 2013 8:28 pm

Re: Problems to analyse the PDOS in Bader volume

Post by edenantish »

Thanks Great Graeme
Your reply help me to look at my CHGCAR again.
and I got my problem.
Thanks
Anteneh
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