; 19:56:37 UTC 2023 x86_64 x86_64 x86_64 GNU/Linux
De: Wien en nombre de Tone Kokalj
Enviado: jueves, 17 de agosto de 2023 04:10 a. m.
Para: wien@zeus.theochem.tuwien.ac.at
Asunto: Re: [Wien] XCrySDen
Dear Pablo,
You only upgraded the OS, or you got a new c
> Linux fedora 6.4.7-100.fc37.x86_64 #1 SMP PREEMPT_DYNAMIC Thu Jul 27
> 19:56:37 UTC 2023 x86_64 x86_64 x86_64 GNU/Linux
De: Wien en nombre de Tone Kokalj
Enviado: jueves, 17 de agosto de 2023 04:10 a. m.
Para: wien@zeus.theochem.tuwien.ac.at
Asunto: Re:
Dear Pablo,
You only upgraded the OS, or you got a new computer with a high screen
resolution, such as Quad HD (2,560×1,440) or Ultra HD (3,840×2,160).
For such high resolutions, xcrysden appearance is indeed awkward (too
small). This annoying issue will be fixed in the next release.
Best
I am having problems with XCrySDen; the figures and the letters are very small.
I have the Fedora Linux;
---
Linux fedora 6.4.7-100.fc37.x86_64 #1 SMP PREEMPT_DYNAMIC Thu Jul 27 19:56:37
UTC 2023 x86_64 x86_64 x86_64 GNU/Linux
---
In earlier versions I did not have this problem
Saludos
023 um 01:31 schrieb delamora:
The only difference is
semishared => shared
*De:* Wien en nombre de
delamora
*Enviado:* viernes, 24 de marzo de 2023 06:28 p. m.
*Para:* A Mailing list for WIEN2k users
*Asunto:* [Wien]
=> shared
*De:* Wien en nombre de
delamora
*Enviado:* viernes, 24 de marzo de 2023 06:28 p. m.
*Para:* A Mailing list for WIEN2k users
*Asunto:* [Wien] XCrySDen Version: 1.6.2
Dear WIEN2k community
I am having trouble with XCryS
The only difference is
semishared => shared
De: Wien en nombre de delamora
Enviado: viernes, 24 de marzo de 2023 06:28 p. m.
Para: A Mailing list for WIEN2k users
Asunto: [Wien] XCrySDen Version: 1.6.2
Dear WIEN2k community
I am having trouble with XCryS
Dear WIEN2k community
I am having trouble with XCrySDen, if I use;
xcrysden-1.5.60-bin-semishared
I have no problem, but if I use
xcrysden-1.6.2-bin-shared
+-+
mend I set DISPLAY?
Thank you
*From:* Wien on behalf of
Gavin Abo
*Sent:* Saturday, June 13, 2020 4:55 PM
*To:* wien@zeus.theochem.tuwien.ac.at
*Subject:* Re: [Wien] Xcrysden issues with w2web
Maybe there is still a problem
Is the w2web program running on the same system, and under the same user ID as
the terminal you used
for the test ? If not, you could try setting "xhost localhost" (or if
you trust your firewall, even "xhost +") to allow connections to your
instance of the X server from other users/other systems
et DISPLAY?
Thank you
From: Wien on behalf of Gavin Abo
Sent: Saturday, June 13, 2020 4:55 PM
To: wien@zeus.theochem.tuwien.ac.at
Subject: Re: [Wien] Xcrysden issues with w2web
Maybe there is still a problem with your XCRYSDEN_TOPDIR, refer to:
https:
nner, as I am running on Ubuntu. Is
there a place where I need to set DISPLAY?
*From:* Wien on behalf of
Gavin Abo
*Sent:* Saturday, June 6, 2020 11:05 AM
*To:* wien@zeus.theochem.tuwien.ac.at
*Subject:* Re: [Wien] Xcrys
From: Wien on behalf of Gavin Abo
Sent: Saturday, June 6, 2020 11:05 AM
To: wien@zeus.theochem.tuwien.ac.at
Subject: Re: [Wien] Xcrysden issues with w2web
Most likely you just need to kill and restart w2web.
Refer to:
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg11246.h
Most likely you just need to kill and restart w2web.
Refer to:
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg11246.html
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg01987.html
On 6/6/2020 11:49 AM, Johnathon Street wrote:
I unable to view crystal with
I unable to view crystal with Xcrysden in w2web environment. However, I am able
to view directly from terminal when typing Xcrysden in command line. I have
found through the mailing list that XCRYSDEN_TOPDIR needs to be set, but I am
unsure what it should be set to. Any help would be
Sure, you can manually add/edit XCRYSDEN_TOPDIR according to the
XCrySDen website:
http://www.xcrysden.org/doc/install.html
However, I installed XCrySDen on Fedora 28 starting with step 8 at
http://www.democritos.it/pipermail/xcrysden/2015-March/001697.html
and it installed just fine for me.
Hi,
i have installed xcrysden and know there some changes required in "TOP
DIRECTORY" to integrate it into wien2k user interface. I tried changing it
but remain unsuccessful. Browsed threads for the same problem, found plenty
in wien2k mailing list but still could not understand how to do it. I
I just tried and the xcrysden semishared binary package successfully ran
on openSUSE 15.0 installed on a USB stick. So I would expect a full
openSUSE install to be no different.
The installation process was very similar to CentOS, Fedora, and Ubuntu
[
I have installed the latest stable version of OpenSuse, version 15 on a node in
a cluster and have found that the semi-shared binary I was using of XCrystDen
no longer works. When I attempt to run XCrysDen, I see the splash window, but
then an error window pops up without any indications of
After you click the "Calculate density with XCrysden" button, 1) the
"Requires X-Windows system ... Calc" message appears immediately or 2)
does the XCrySDen program open, the "Choose 2D/3D Density Plot" window
appears (like that shown at
http://www.xcrysden.org/doc/wien.html#__toc__6 ), then
Dear all,
Xcrysden works fine from the w2web interface (run locally), when viewing
a structure. So, I think it is correctly installed and configured.
However, it displays "requires X-Windows system ... Calc" when trying to
use the "Calculate density with Xcrysden" button, or "requires
Dear Wien2k group,
I have one well known problem in working with XCrysDen in Wien2k. I
recently updated to Wien2k16. Now while trying to plot Electron
Density and selecting k-path for band structure using XCrySDen, I get
"Requires X-Windows system ... Calc" and "Requires X-Windows system
...@zeus.theochem.tuwien.ac.at
wien-boun...@zeus.theochem.tuwien.ac.at en nombre de Peter Blaha
pbl...@theochem.tuwien.ac.at
Enviado: viernes, 10 de octubre de 2014 01:10 a.m.
Para: A Mailing list for WIEN2k users
Asunto: Re: [Wien] Xcrysden problem
After installation of xcrysden you must kill w2web
After installation of xcrysden you must kill w2web
(ps -ef |grep w2web and kill the corresponding processes).
Then make sure your environment is ok (eventually logout/login)
and restart w2web.
PS: before starting w2web, the environment variable XCRYSDEN_TOPDIR
must be set.
Am 10.10.2014
Dear Wien2k users,
I am new to Wien2k and i am running Wien2k version 13.1 on Ubuntu 14.04. LTS. I
have problem with Xcrysden not showing up when i run electron density
calculation. The button Calculate density with XCrysden doesnt show up. I
have re-installed Xcrysden and XCrysden is working
temuujin
fox_temuu...@yahoo.com
Enviado: jueves, 09 de octubre de 2014 09:51 p.m.
Para: wien@zeus.theochem.tuwien.ac.at
Asunto: [Wien] Xcrysden problem
Dear Wien2k users,
I am new to Wien2k and i am running Wien2k version 13.1 on Ubuntu 14.04. LTS. I
have problem with Xcrysden not showing up when
Dear members,
After installing XCrysden, and when I run, I see this message??
/home/ali13btf/Bureau/XCrySDen-1.5.17-bin-semishared/xcrysden: 160: .: Can't
open
/complete_path_to/XCrySDen-1.5.17-src-all/scripts/xcLib.sh
Where is the problem?!Cordially
Hello,
I think you forgot to replace complete_path_to in your
XCRYSDEN_TOP_DIR variable. It should be your local install path.
Kind regards,
Michael Sluydts
ali betaouaf schreef op 1/18/2014 1:15 PM:
Dear members,
After installing XCrysden, and when I run, I see this message??
Dear Anton Kokalj sir,
Is there any demo version of XCrysden available? Is it
possible to install in windows 7 or windows 8 system? If yes, then how to do,
please guide me.
Warm regards
Dr Swati Chaudhury
Visiting Scientist
ICRISAT,
actually, i used only 300 k-points and this specific problem arose when i
tried to select k-path for band structure calculations.
my system has monoclinic symmetry so there are a couple of special points
in k-path i wanted to adopt with coordinates like (0.64xxx, 0.32xxx, 0.5).
i selected the
What large values did you use in xcrysden for the multiplier and
k-points? Someone else might be able to comment on whether you can use
smaller values and still get accurate results.
I see your posts on the xcrysden mailing list:
You are using an old version of xcrysden. The new version does not suggest
these changes anymore.
You do not need to follow the steps listed in xcrysden, but can do all this
(except the real plotting,
i.e. the last step) by hand.
You need:
A very dense UNSHIFTED k-mesh.(x kgen)
run x
Dear Sir/Madam,
My question may not be directly related to WIEN2k. When plotting Fermi
surface using XCrysden, it says that case.in1 should be changed into
unit 5. But if I change case.in1 to unit 5, I would always get an
error message saying that kpoints in case.in1 is inconsistent with the
Dear all,
I try to use XCRYSDEN to choose the plane for plotting electron density, thus,
HPC installed XCRYSDEN (1.4.1) in my account so that I open XCrysDen using
Xmanager on my PC. Here I have two questions concerning about it:
1. XCrysDen is extremely slow on the Xmanager window;
2. I do
Dear Prof. Blaha,
The suggested procedure works fine.
Thank you very much,
Jianxin
On Jan 9, 2010, at 7:05 AM, Peter Blaha wrote:
At localhost issue:
ssh -X hostname_where_w2web_runs(the -X option directs the X-
windows system to open screens on loc.host)
ps -ef |grep w2web
kill
At localhost issue:
ssh -X hostname_where_w2web_runs(the -X option directs the X-windows system
to open screens on loc.host)
ps -ef |grep w2web
kill (kill all pids with w2web)
w2web
now you can reconnect with your browser to w2web and xcrysden should open on
localhost.
Dear Prof. Blaha and Wien2k users,
I have a problem using XCrysDen in w2web remotely.
From local host, I use the web-browser to connect to w2web in the
remote machine, by
safari http://hostname_where_w2web_runs:7890
and open a session successfully.
However, when I click view structure on
If it works for you, it is fine.
It was in when using some years ago UNIX systems (or an early Linux),
but on the more recent platforms it was not necessary or even harms
sometimes). May depend on your X-server.
Tomohiko Tasaka schrieb:
Dear w2web users,
I tried to access xcrysden from
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