cut3d xcrysden formatting problem?

MULTIBINIT, aTDEP, ANADDB, optics, cut3d, mrg* postprocessors

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yttrium55
Posts: 3
Joined: Mon Jan 02, 2012 4:30 am

cut3d xcrysden formatting problem?

Post by yttrium55 » Mon Jan 02, 2012 6:45 am

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

yttrium55
Posts: 3
Joined: Mon Jan 02, 2012 4:30 am

Re: cut3d xcrysden formatting problem?

Post by yttrium55 » Thu Jan 05, 2012 8:38 am

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

mverstra
Posts: 655
Joined: Wed Aug 19, 2009 12:01 pm

Re: cut3d xcrysden formatting problem?

Post by mverstra » Wed Feb 15, 2012 2:59 pm

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?
Matthieu Verstraete
University of Liege, Belgium

yttrium55
Posts: 3
Joined: Mon Jan 02, 2012 4:30 am

Re: cut3d xcrysden formatting problem?

Post by yttrium55 » Wed Mar 21, 2012 7:41 am

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

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