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
cut3d xcrysden formatting problem?
Moderators: MMNSchmitt, gonze
Re: cut3d xcrysden formatting problem?
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
Byeong June MIN
Re: cut3d xcrysden formatting problem?
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?
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
University of Liege, Belgium
Re: cut3d xcrysden formatting problem?
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
My output indicates e10.5, and my version is from the Debian package - a little bit behind.
Thanks,
Byeong June MIN