chg2cub script

[RB_Rankin]

Hello,

I am trying to use this utility (version # LAST MODIFIED by dano: 4-29-10) for converting my CHGCAR file, and it stops running and outputs

"Split loop at ./chg2cub.pl line 80"

What does this indicate is going wrong?


Thank you very much for your assistance.

[graeme]

Hi; if you post your chgcar file (or email it, or make a web link) we'll try to debug this.

[RB_Rankin]

Hello thanks, I will send you a Private Message in a few minutes with a Download link to compressed file, which is still quite large

[RB_Rankin]

Prof. Henkelman, can you confirm you received the private message download link I sent you?
I know you are very busy and it might take you some time to figure the solution to the problem, but the download is only valid for 1 week and I need to know if it should be reuploaded if you have not had time to access it yet.

Thank you again for your help!

[graeme]

Yes, I got it. I expect it is a problem with the size of the file and a limit on the perl split function. I expect that it can be rewritten to avoid splitting such a large array, or we'll find another solution. This should not be difficult.

[RB_Rankin]

OK, thank you for the update Prof Henkelman.

I look forward to an improved version of this utility soon.


Best regards!