[xcrysden] A few issues with Xcrysden

Bo Qiu 200210qb at gmail.com
Sat Feb 23 07:53:54 CET 2013


Dear developers,

I'm trying to use xcrysden installed on the computer cluster maintained by
the university, however, I've met some issues that even the staff cannot
help me with, so I'm trying to ask for help here:

1. when I use Xcrysden 1.4.1 to import charge density from quantum espresso
output, after loading the XSF, I do Tools -> Data Grid, however, there is
no OK button on the bottom of the popped-up DataGrid panel, so there is no
way I can proceed from there to make the isosurface of charge density, so I
try to switch to 1.5.53

2. when I use Xcrysden 1.5.53, After I opened xcrysden, I can see all the
menu, tools panel items and the bottom tool panels. However, the problem is
that the actual panel for molecule display is not working -- it feels like
it's not refreshing. For instance, if I do File -> Open structure --> Open
XSF --> choose file, then all these drop menus and dialogue windows will
remain and overlap in the order they showed up and no molecule is displayed
in the end. I thought it may be just laggy, but if I leave it there for
hours and come back, it is still the same. Interestingly, for 1.4.1, at
least I don't have such issue at all. I have attached a screen shot to this
email.

I used putty for SSH, used Xming for X11 client and the X11 setup works for
all of my other programs. The host is a unix computer cluster. The client
system is windows 7 and had firewall turned off. I actually tried on
several different computers with win 7 and winXP, same observation.
Strangely, the cluster staff actually didn't have my observed issues at all
when he has exactly the same client setups as I have and he tried all he
could but I still couldn't get this working ...

Could you please let me know any possible solutions?

Thanks a lot,
Bo
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