Page 1 of 1

cut3d xcrysden formatting problem?

Posted: Mon Jan 02, 2012 6:45 am
by yttrium55
Hi.

I was trying to print out the potential in the xcrysden format using cut3d. Only it prints out ******** instead of numbers, in the datagrid_3d_density section.
But the numbers seems to be just ordinary when I look at them using the simple formatted output option in cut3d. Is there anything I can do?

Best regards,

Byeong June MIN

Re: cut3d xcrysden formatting problem?

Posted: Thu Jan 05, 2012 8:38 am
by yttrium55
It probably happens because I was trying to plot the potential, and the format need just a little bit more space. Maybe someone could modify the format statement for the next release?

Byeong June MIN

Re: cut3d xcrysden formatting problem?

Posted: Wed Feb 15, 2012 2:59 pm
by mverstra
The format is e20.5,2x which should have plenty of space. Which version of abinit are you using?

If you print out the raw values with, e.g., option 6 of cut3d, which values do you get?

Re: cut3d xcrysden formatting problem?

Posted: Wed Mar 21, 2012 7:41 am
by yttrium55
Then it must have already been modified.
My output indicates e10.5, and my version is from the Debian package - a little bit behind.
Thanks,
Byeong June MIN