From xcrysden@democritos.it Fri Sep 1 08:04:14 2006 From: xcrysden@democritos.it (Tone Kokalj) Date: Fri, 01 Sep 2006 09:04:14 +0200 Subject: [xcrysden] input from keyboard is cot accepted In-Reply-To: <1156952976.4090.9.camel@linux-mles.site> References: <1156695460.4553.11.camel@linux-mles.site> <1156923122.5953.24.camel@localhost.localdomain> <1156952976.4090.9.camel@linux-mles.site> Message-ID: <1157094254.5909.28.camel@localhost.localdomain> On Thu, 2006-08-31 at 00:49 +0900, hiromasa wrote: > Dear Tone > > Thank you for your reply. Nothing is acceptable from numerical keyboard > nor whatsoeverds So this means you cannot input any character. Strange! I don't know what is the reason. No idea. Might be some incompatibility between the your window-manager and Tcl/Tk (that xcrysden uses). As a test you may change you window-manager to see if it makes some difference (I am just guessing ...). Any other idea by anybody else? Best regars, Tone From xcrysden@democritos.it Fri Sep 1 12:44:31 2006 From: xcrysden@democritos.it (Eyvaz Isaev) Date: Fri, 1 Sep 2006 04:44:31 -0700 (PDT) Subject: [xcrysden] input from keyboard is cot accepted In-Reply-To: <1157094254.5909.28.camel@localhost.localdomain> Message-ID: <20060901114431.63539.qmail@web60322.mail.yahoo.com> Hi, There was a quite strange story reading the original mail of Hiromasa. I started reading the mail and just a few minutes I realized that my keyboard does not work, too. Though, a mice worked well. Nothing helped until I rebooted SuSe10.1!!! Sure, I am not a Linux guru, but not a beginner. It might be that I missed something. Bests, Eyvaz. --- Tone Kokalj wrote: > On Thu, 2006-08-31 at 00:49 +0900, hiromasa wrote: > > Dear Tone > > > > Thank you for your reply. Nothing is acceptable > from numerical keyboard > > nor whatsoeverds > > So this means you cannot input any character. > Strange! > I don't know what is the reason. No idea. > > Might be some incompatibility between the your > window-manager and Tcl/Tk > (that xcrysden uses). As a test you may change you > window-manager to see > if it makes some difference (I am just guessing > ...). > > Any other idea by anybody else? > > Best regars, Tone > > _______________________________________________ > XCrySDen mailing list > XCrySDen@democritos.it > http://www.democritos.it/mailman/listinfo/xcrysden > __________________________________________________ Do You Yahoo!? Tired of spam? Yahoo! Mail has the best spam protection around http://mail.yahoo.com From xcrysden@democritos.it Fri Sep 1 16:52:36 2006 From: xcrysden@democritos.it (hiromasa) Date: Sat, 02 Sep 2006 00:52:36 +0900 Subject: [xcrysden] input from keyboard is cot accepted In-Reply-To: <20060901114431.63539.qmail@web60322.mail.yahoo.com> References: <20060901114431.63539.qmail@web60322.mail.yahoo.com> Message-ID: <1157125956.5637.3.camel@linux-mles.site> Thanks for comments & advice, I changed window-maker, but nothing changed. Originally I use GNOME, then WindowMaker and FWVM... One thing I found is the following message when I start "xcrysden" *** the hardware does not support the stereo *** hiromasa On Fri, 2006-09-01 at 04:44 -0700, Eyvaz Isaev wrote: > Hi, > > There was a quite strange story reading the original > mail of Hiromasa. I started reading the mail and just > a few minutes I realized that my keyboard does not > work, too. Though, a mice worked well. > Nothing helped until I rebooted SuSe10.1!!! > Sure, I am not a Linux guru, but not a beginner. It > might be that I missed something. > > Bests, > Eyvaz. > > --- Tone Kokalj wrote: > > > On Thu, 2006-08-31 at 00:49 +0900, hiromasa wrote: > > > Dear Tone > > > > > > Thank you for your reply. Nothing is acceptable > > from numerical keyboard > > > nor whatsoeverds > > > > So this means you cannot input any character. > > Strange! > > I don't know what is the reason. No idea. > > > > Might be some incompatibility between the your > > window-manager and Tcl/Tk > > (that xcrysden uses). As a test you may change you > > window-manager to see > > if it makes some difference (I am just guessing > > ...). > > > > Any other idea by anybody else? > > > > Best regars, Tone > > > > _______________________________________________ > > XCrySDen mailing list > > XCrySDen@democritos.it > > http://www.democritos.it/mailman/listinfo/xcrysden > > > > > __________________________________________________ > Do You Yahoo!? > Tired of spam? Yahoo! Mail has the best spam protection around > http://mail.yahoo.com > _______________________________________________ > XCrySDen mailing list > XCrySDen@democritos.it > http://www.democritos.it/mailman/listinfo/xcrysden > From xcrysden@democritos.it Fri Sep 1 16:54:30 2006 From: xcrysden@democritos.it (hiromasa) Date: Sat, 02 Sep 2006 00:54:30 +0900 Subject: [xcrysden] input from keyboard is cot accepted In-Reply-To: <20060901114431.63539.qmail@web60322.mail.yahoo.com> References: <20060901114431.63539.qmail@web60322.mail.yahoo.com> Message-ID: <1157126070.5637.5.camel@linux-mles.site> Thanks for comments and advice, I changed window maker, but nothing changed. Originally I use GNOME, then changed to WindowMaker and FWVM... One thing I found is the following message when I start "xcrysden" *** the hardware does not support the stereo *** hiromasa 2006-09-01 (金) の 04:44 -0700 に Eyvaz Isaev さんは書きました: > Hi, > > There was a quite strange story reading the original > mail of Hiromasa. I started reading the mail and just > a few minutes I realized that my keyboard does not > work, too. Though, a mice worked well. > Nothing helped until I rebooted SuSe10.1!!! > Sure, I am not a Linux guru, but not a beginner. It > might be that I missed something. > > Bests, > Eyvaz. > > --- Tone Kokalj wrote: > > > On Thu, 2006-08-31 at 00:49 +0900, hiromasa wrote: > > > Dear Tone > > > > > > Thank you for your reply. Nothing is acceptable > > from numerical keyboard > > > nor whatsoeverds > > > > So this means you cannot input any character. > > Strange! > > I don't know what is the reason. No idea. > > > > Might be some incompatibility between the your > > window-manager and Tcl/Tk > > (that xcrysden uses). As a test you may change you > > window-manager to see > > if it makes some difference (I am just guessing > > ...). > > > > Any other idea by anybody else? > > > > Best regars, Tone > > > > _______________________________________________ > > XCrySDen mailing list > > XCrySDen@democritos.it > > http://www.democritos.it/mailman/listinfo/xcrysden > > > > > __________________________________________________ > Do You Yahoo!? > Tired of spam? Yahoo! Mail has the best spam protection around > http://mail.yahoo.com > _______________________________________________ > XCrySDen mailing list > XCrySDen@democritos.it > http://www.democritos.it/mailman/listinfo/xcrysden > From xcrysden@democritos.it Fri Sep 1 16:56:44 2006 From: xcrysden@democritos.it (hiromasa) Date: Sat, 02 Sep 2006 00:56:44 +0900 Subject: [xcrysden] input from keyboard is cot accepted In-Reply-To: <20060901114431.63539.qmail@web60322.mail.yahoo.com> References: <20060901114431.63539.qmail@web60322.mail.yahoo.com> Message-ID: <1157126204.5637.12.camel@linux-mles.site> Thanks for comments and advice, I changed window maker, but nothing changed. Originally I use GNOME, then changed to WindowMaker and FWVM... One thing I found is the following message when I start "xcrysden" *** the hardware does not support the stereo *** hiromasa 2006-09-01 (金) の 04:44 -0700 に Eyvaz Isaev さんは書きました: > Hi, > > There was a quite strange story reading the original > mail of Hiromasa. I started reading the mail and just > a few minutes I realized that my keyboard does not > work, too. Though, a mice worked well. > Nothing helped until I rebooted SuSe10.1!!! > Sure, I am not a Linux guru, but not a beginner. It > might be that I missed something. > > Bests, > Eyvaz. > > --- Tone Kokalj wrote: > > > On Thu, 2006-08-31 at 00:49 +0900, hiromasa wrote: > > > Dear Tone > > > > > > Thank you for your reply. Nothing is acceptable > > from numerical keyboard > > > nor whatsoeverds > > > > So this means you cannot input any character. > > Strange! > > I don't know what is the reason. No idea. > > > > Might be some incompatibility between the your > > window-manager and Tcl/Tk > > (that xcrysden uses). As a test you may change you > > window-manager to see > > if it makes some difference (I am just guessing > > ...). > > > > Any other idea by anybody else? > > > > Best regars, Tone > > > > _______________________________________________ > > XCrySDen mailing list > > XCrySDen@democritos.it > > http://www.democritos.it/mailman/listinfo/xcrysden > > > > > __________________________________________________ > Do You Yahoo!? > Tired of spam? Yahoo! Mail has the best spam protection around > http://mail.yahoo.com > _______________________________________________ > XCrySDen mailing list > XCrySDen@democritos.it > http://www.democritos.it/mailman/listinfo/xcrysden > From xcrysden@democritos.it Fri Sep 1 17:26:23 2006 From: xcrysden@democritos.it (Tone Kokalj) Date: Fri, 01 Sep 2006 18:26:23 +0200 Subject: [xcrysden] input from keyboard is cot accepted In-Reply-To: <1157125956.5637.3.camel@linux-mles.site> References: <20060901114431.63539.qmail@web60322.mail.yahoo.com> <1157125956.5637.3.camel@linux-mles.site> Message-ID: <1157127983.6294.8.camel@localhost.localdomain> On Sat, 2006-09-02 at 00:52 +0900, hiromasa wrote: > Thanks for comments & advice, > > I changed window-maker, but nothing changed. Originally I use GNOME, > then WindowMaker and FWVM... > One thing I found is the following message when I start "xcrysden" > > *** the hardware does not support the stereo *** This has nothing to do with it, and everybody see this message, even those which do have stereo support, because of a bug in stereo detection (will be fixed in 1.5). I have no idea why this happen. Any suggestion I can give is of "error and trial" style, such as compiling the source code instead of using the pre-compiled version.... Regards, Tone From xcrysden@democritos.it Fri Sep 1 21:53:38 2006 From: xcrysden@democritos.it (Scott Beckman) Date: Fri, 1 Sep 2006 15:53:38 -0500 Subject: [xcrysden] forces in crystal Message-ID: <80dd85c203e36d77f8d5435b4b740537@gmail.com> Hi, I'm writing a set of script too convert output from PARSEC (http://www.ices.utexas.edu/parsec/) to XSF format. It is unclear to me when periodic boundaries are employed if the forces in primvec are given in absolute coordinate or given relative to the primitive lattice vectors. Thank you, Scott From xcrysden@democritos.it Tue Sep 5 18:39:29 2006 From: xcrysden@democritos.it (Tone Kokalj) Date: Tue, 5 Sep 2006 19:39:29 +0200 (CEST) Subject: [xcrysden] forces in crystal In-Reply-To: <80dd85c203e36d77f8d5435b4b740537@gmail.com> References: <80dd85c203e36d77f8d5435b4b740537@gmail.com> Message-ID: <33687.130.192.118.84.1157477969.squirrel@nabiralnik.ijs.si> > Hi, > > I'm writing a set of script too convert output from PARSEC > (http://www.ices.utexas.edu/parsec/) to XSF format. > > It is unclear to me when periodic boundaries are employed if the forces > in primvec are given in absolute coordinate or given relative to the > primitive lattice vectors. Forces components are Cartesian in XSF file. About the unit nothing is assumed. The numbers are simply taken as such from the file. See: http://www.xcrysden.org/doc/XSF.html#__toc__5 Regards, Tone From xcrysden@democritos.it Sat Sep 16 15:02:30 2006 From: xcrysden@democritos.it (=?GB2312?B?sNfT7g==?=) Date: Sat, 16 Sep 2006 22:02:30 +0800 (CST) Subject: [xcrysden] problem about BZ in xcrysden Message-ID: <20060916140231.1095337F7C@mx2.buaa.edu.cn> RGVhciB1c2VyczoNCiAgSSdtIGRvaW5nIGNhY3VsYXRpb24gYWJvdXQgYW5hdGFzZSBwaGFzZSBU aU8yIHdpdGggd2llbjJrLiBJIGNvbnN0cnVjdCBhIGZvdXIgdW5pdCBjZWxsIHN1cGVyY2VsbCB3 aXRoKG9yIHdpdGhvdXQpIGltcHVyaXR5LCBhbmQgaW4geGNyeXNlZG4uIA0KSSBzZWUgdGhlIHN0 cnVjdCB3aGljaCBJIHdhbnQuIHdoZW4gZG9pbmcgdGhlIGJhbmQtc3RydWN0IHBsb3RpbmcgSSB1 c2UgeGNyeXNkZW4gdG8gY2hvb3NlIGstcGF0aCwgdGhlbiB0aGUgcHJpbWl0aXZlIEJaIGFuZCBj b252ZW50aW5hbCBCWiBhcmUgYWxsIA0Kbm90IGNvcnJlY3QuIEl0IGlzIGp1c3QgdG9vIHNpbXBs ZS4NCkNhbiB5b3UgZ2l2ZSBtZSBzb21lIHN1Z2dlc3Rpb25zPw0KVGhhbmtzLg0KQmVzdCByZWdh cmRzLg== From xcrysden@democritos.it Mon Sep 18 09:25:53 2006 From: xcrysden@democritos.it (Tone Kokalj) Date: Mon, 18 Sep 2006 10:25:53 +0200 Subject: [xcrysden] problem about BZ in xcrysden In-Reply-To: <20060916140231.1095337F7C@mx2.buaa.edu.cn> References: <20060916140231.1095337F7C@mx2.buaa.edu.cn> Message-ID: <1158567954.5969.3.camel@localhost.localdomain> On Sat, 2006-09-16 at 22:02 +0800, =E7=99=BD=E5=AE=87 wrote: > Dear users: > I'm doing caculation about anatase phase TiO2 with wien2k. I construc= t a four unit cell supercell with(or without) impurity, and in xcrysedn.=20 > I see the struct which I want. when doing the band-struct ploting I use= xcrysden to choose k-path, then the primitive BZ and conventinal BZ are = all=20 > not correct. You will have to provide MORE information; at least your wien2k struct file ... 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--62808.1158671993/mail.buaa.edu.cn-- From xcrysden@democritos.it Tue Sep 19 15:21:27 2006 From: xcrysden@democritos.it (Tone Kokalj) Date: Tue, 19 Sep 2006 16:21:27 +0200 Subject: [xcrysden] Re: problem about BZ in xcrysden In-Reply-To: <20060919131953.707A937F67@mx2.buaa.edu.cn> References: <20060919131953.707A937F67@mx2.buaa.edu.cn> Message-ID: <1158675687.8149.14.camel@localhost.localdomain> On Tue, 2006-09-19 at 21:19 +0800, \ =E7=99=BD=E5=AE=87\ wrote: > Thank you for your attention. > My wien2k struct is as follow: > P-doped = =20 > P LATTICE,NONEQUIV.ATOMS: 1225_Pmm2 > MODE OF CALC=3DRELA unit=3Dbohr=20 > 7.153120 7.153120 17.981000 90.000000 90.000000 90.000000 = =20 You specified an orthorhombic (primitive) unit-cell. The BZ will be orthorhombic as well, and xcrysden displays it accordingly. Why do you think it is wrong? I cannot see why it would be wrong.=20 Could you describe in words ... Regards, Tone From xcrysden@democritos.it Wed Sep 20 11:46:59 2006 From: xcrysden@democritos.it (xcrysden@democritos.it) Date: Wed, 20 Sep 2006 07:46:59 -0300 Subject: [xcrysden] =?iso-8859-1?b?Q291bGRutHQ=?= change working directory to =?iso-8859-1?b?tG4veGNfMTQ2NbQ=?= no such file or directory Message-ID: <20060920074659.ohm3nbt7s480w0cs@webmail.oi.com.br> Good Morning. I have installed the 1.4 static version on a linux sistem but when i try to read a file pickin it from the libraries it returns the message: " Couldn=B4t change working directory to =B4n/xc_1465=B4 no such file or directory" in the detailed notes said it cames from a "cp SCRDIR" Browsing the files in the line commands there is "xcrysden-14bin.static/n/xc_1465." May I edit the script file? Which one? Another aspect is that i have to make " . .bashrc" every time i use the program (maybe it=B4s related). Can you help me with this? Thank you very much. ---------------------------------------------------------------------------= ----- Aqui na Oi Internet voc=EA ganha ou ganha. Al=E9m de acesso gr=E1tis com qualidade, ganha contas ilimitadas de email com 1 giga cada uma. Ganha espa=E7o ilimitado para hospedar sua p=E1gina pessoal. Ganha flog, suporte gr=E1tis e muito mais. Baixe gr=E1tis o Discador em http://www.oi.com.br/discador e comece a ganhar. Agora, se o seu neg=F3cio =E9 voar na internet sem pagar uma fortuna, assine Oi Internet banda larga a partir de R$ 9,90. Clique em http://www.oi.com.br/bandalarga e aproveite essa moleza! From xcrysden@democritos.it Wed Sep 20 12:23:27 2006 From: xcrysden@democritos.it (Tone Kokalj) Date: Wed, 20 Sep 2006 13:23:27 +0200 Subject: [xcrysden] =?ISO-8859-1?Q?Couldn=B4t?= change working directory to =?ISO-8859-1?Q?=B4n=2Fxc=5F1465=B4?= no such file or directory In-Reply-To: <20060920074659.ohm3nbt7s480w0cs@webmail.oi.com.br> References: <20060920074659.ohm3nbt7s480w0cs@webmail.oi.com.br> Message-ID: <1158751407.6012.22.camel@localhost.localdomain> On Wed, 2006-09-20 at 07:46 -0300, humpaiva@oi.com.br wrote: > Good Morning. >=20 >=20 > I have installed the 1.4 static version on a linux sistem but when i > try to read a file pickin it from the libraries it returns the message: > " Couldn=B4t change working directory to =B4n/xc_1465=B4 no such f= ile > or directory"=20 This clearly indicates that you specified a relative path for the XCRYSDEN_SCRATCH directory. This is a bad idea, as you realized. Plese set XCRYSDEN_SCRATCH to some absolute path, such as, for example: /scratch/$USER/xcrys_tmp >=20 > May I edit the script file? Which one? After you fix the above-mentioned in the ~/.bashrc file, it will work. > Another aspect is that i have to make " . .bashrc" every time i use th= e > program (maybe it=B4s related). The .bashrc is the bash-shell profile. It should be read upon bash startup (if not, then there is something weird with your system).... Regards, Tone From xcrysden@democritos.it Wed Sep 27 17:07:41 2006 From: xcrysden@democritos.it (Hongjun Xiang) Date: Wed, 27 Sep 2006 12:07:41 -0400 Subject: [xcrysden] About the atom label display Message-ID: <451AA1CD.8090402@mail.ustc.edu.cn> Dear all, Can xcrysden display the sequence numbers of atoms? I can't find such an option even in the latest version. Sometimes this option is useful. Thank you. Best regards, Hongjun Xiang ============================================================= H. J. Xiang Postdoctoral Research Assistant Department of Chemistry North Carolina State University Raleigh, NC 27695-8204 Tel: 001-919-515-8919 =============================================================