From w2agz at pacbell.net Tue Apr 1 03:16:49 2008 From: w2agz at pacbell.net (Paul M. Grant) Date: Mon, 31 Mar 2008 18:16:49 -0700 Subject: [xcrysden] Opening Window Size In-Reply-To: <01cf01c89298$947c0860$bd741920$@net> References: <01cf01c89298$947c0860$bd741920$@net> Message-ID: <024e01c89396$10659790$3130c6b0$@net> Never mind. It's a distro issue (I'm using kubuntu). You have to individualize the kde opening window dimensions and then save as the default for XCrysDen. Paul M. Grant, PhD Principal, W2AGZ Technologies Visiting Scholar, Applied Physics, Stanford University EPRI Science Fellow (Retired) IBM Research Staff Member Emeritus w2agz at pacbell.net http://www.w2agz.com From: xcrysden-bounces at democritos.it [mailto:xcrysden-bounces at democritos.it] On Behalf Of Paul M. Grant Sent: Sunday, March 30, 2008 12:02 PM To: xcrysden at democritos.it Subject: [xcrysden] Opening Window Size Tone, I've noticed "recently" (that means after using a number of various Linux distros) that XCrysDen opens (let's say some given PWscf input file) with only a small (2-3 cm square) window which I then have to right-click and "resize" to see the whole structure. Is this an X-Windows issue or an XCrysDen option I need to set? -Paul Paul M. Grant, PhD Principal, W2AGZ Technologies Visiting Scholar, Applied Physics, Stanford University EPRI Science Fellow (Retired) IBM Research Staff Member Emeritus w2agz at pacbell.net http://www.w2agz.com -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/xcrysden/attachments/20080331/2b67ade0/attachment.htm From colonel.sreekar at gmail.com Tue Apr 1 11:31:43 2008 From: colonel.sreekar at gmail.com (sreekar guddeti) Date: Tue, 1 Apr 2008 15:01:43 +0530 Subject: [xcrysden] band structure visualisation Message-ID: Dear users, How to visualise band structure in xcrysden. I used Tools>kpath selection after generating band output data using PWSCF . But it creates only a kpath file. Thanks in advance, Sreekar Guddeti -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/xcrysden/attachments/20080401/8ba5b25d/attachment.htm From lanhaiping at gmail.com Tue Apr 1 11:44:14 2008 From: lanhaiping at gmail.com (lan haiping) Date: Tue, 1 Apr 2008 17:44:14 +0800 Subject: [xcrysden] band structure visualisation In-Reply-To: References: Message-ID: Hi, Bandstructure data can be displayed with gnuplot or grace. the kpath toolkit supplied with xcrysden help you construct bands calculation for special kpoints selection On Tue, Apr 1, 2008 at 5:31 PM, sreekar guddeti wrote: > Dear users, > How to visualise band structure in xcrysden. I used Tools>kpath selection > after generating band output data using PWSCF . But it creates only a kpath > file. > > Thanks in advance, > Sreekar Guddeti > > _______________________________________________ > XCrySDen mailing list > XCrySDen at democritos.it > http://www.democritos.it/mailman/listinfo/xcrysden > > -- Hai-Ping Lan Department of Electronics , Peking University , Bejing, 100871 lanhaiping at gmail.com, hplan at pku.edu.cn -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/xcrysden/attachments/20080401/3f7ac14e/attachment.htm From tone.kokalj at ijs.si Thu Apr 3 14:03:59 2008 From: tone.kokalj at ijs.si (Tone Kokalj) Date: Thu, 3 Apr 2008 14:03:59 +0200 (CEST) Subject: [xcrysden] Opening Window Size and turning off the bond sticks In-Reply-To: <01cf01c89298$947c0860$bd741920$@net> References: <01cf01c89298$947c0860$bd741920$@net> Message-ID: <50278.144.82.248.209.1207224239.squirrel@nabiralnik.ijs.si> > Tone, I've noticed "recently" (that means after using a number of various > Linux distros) that XCrysDen opens (let's say some given PWscf input file) > with only a small (2-3 cm square) window which I then have to right-click > and "resize" to see the whole structure. Is this an X-Windows issue or an > XCrysDen option I need to set? I would say that is a window manager issue (I've noticed different strange interactions between the Tk (that the xcrysden uses) and various window managers. As for the ball sticks, the easiest way to turn them off is in "Lighting On" mode. Click on the "Logic" radiobutton on the left toolbox (below Lighting On/Off buttons), and then tick-off the sticks. Regards, Tone From tone.kokalj at ijs.si Thu Apr 3 14:14:37 2008 From: tone.kokalj at ijs.si (Tone Kokalj) Date: Thu, 3 Apr 2008 14:14:37 +0200 (CEST) Subject: [xcrysden] Opening Window Size and turning off the bond sticks In-Reply-To: <50278.144.82.248.209.1207224239.squirrel@nabiralnik.ijs.si> References: <01cf01c89298$947c0860$bd741920$@net> <50278.144.82.248.209.1207224239.squirrel@nabiralnik.ijs.si> Message-ID: <50547.144.82.248.209.1207224877.squirrel@nabiralnik.ijs.si> > On" mode. Click on the "Logic" radiobutton on the left toolbox That's a typo: actually I meant the right-toolbox. Regards, Tone From psbishtphyjiwaji at yahoo.co.in Wed Apr 16 12:16:10 2008 From: psbishtphyjiwaji at yahoo.co.in (pradeep bisht) Date: Wed, 16 Apr 2008 11:16:10 +0100 (BST) Subject: [xcrysden] regarding charge density Message-ID: <170663.92951.qm@web94212.mail.in2.yahoo.com> I am using wien2k and want to know How to plot the electron charge density using xcrysden. Pradeep --------------------------------- Meet people who discuss and share your passions. Join them now. -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/xcrysden/attachments/20080416/cd841ccb/attachment.htm From tone.kokalj at ijs.si Wed Apr 16 12:26:04 2008 From: tone.kokalj at ijs.si (Tone Kokalj) Date: Wed, 16 Apr 2008 12:26:04 +0200 Subject: [xcrysden] regarding charge density In-Reply-To: <170663.92951.qm@web94212.mail.in2.yahoo.com> References: <170663.92951.qm@web94212.mail.in2.yahoo.com> Message-ID: <1208341564.6856.7.camel@walk.ijs.si> On Wed, 2008-04-16 at 11:16 +0100, pradeep bisht wrote: > I am using wien2k and want to know How to plot the electron charge > density using xcrysden. See: http://www.xcrysden.org/doc/wien.html in particular: http://www.xcrysden.org/doc/wien.html#__toc__6 Regards, Tone -- Tone Kokalj J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia (tel: +386-1-477-3523 // fax:+386-1-477-3822)