From j_temp at outlook.com Tue Aug 8 16:03:55 2017 From: j_temp at outlook.com (=?utf-8?B?6LS+IOS6muejig==?=) Date: Tue, 8 Aug 2017 14:03:55 +0000 Subject: [xcrysden] Bug report: Tcl/scriptingScalarField3D.tcl Message-ID: I think the description in Tcl/scriptingScalarField3D.tcl is inconsistent with the coding(line 404 405 406 vs line 408): 402 "-basalplane" { 403 switch $option { 404 1 { set iplane 1 } 405 2 { set iplane 2 } 406 3 { set iplane 3 } 407 default { 408 ErrorDialog "the value of -basalplane must be 0, 1, or 2, but got $option" 409 continue 410 } 411 } 412 set scalarField3D(basalplane) $iplane 413 set t .iso 414 set ft $t.ft 415 set fb1 $t.fb1 416 set fb2 $t.fb2 417 IsoControl_Show colorplane$iplane $fb1 $fb2 $ft.b1 $ft.b2 $ft.b3 $ft.b4 418 } I think line 404 405 406 should be changed to: 404 0 { set iplane 1 } 405 1 { set iplane 2 } 406 2 { set iplane 3 } Best regards! -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/xcrysden/attachments/20170808/7e0bfe68/attachment.htm From tone.kokalj at ijs.si Sat Aug 12 10:01:50 2017 From: tone.kokalj at ijs.si (Tone Kokalj) Date: Sat, 12 Aug 2017 10:01:50 +0200 Subject: [xcrysden] Bug report: Tcl/scriptingScalarField3D.tcl In-Reply-To: References: Message-ID: <1502524910.2189.3.camel@ijs.si> On Tue, 2017-08-08 at 14:03 +0000, ? ?? wrote: > I think the description in Tcl/scriptingScalarField3D.tcl is > inconsistent with the coding(line 404 405 406 vs line 408): > 402???????? "-basalplane" { > 403???????????? switch $option { > 404???????????? 1 { set iplane 1 } > 405???????????? 2 { set iplane 2 } > 406???????????? 3 { set iplane 3 } > 407???????????? default { > 408???????????????? ErrorDialog "the value of -basalplane must be 0, > 1, or 2, but got $option" > 409???????????????? continue Yes, it is. The error message was corrected to? "the value of -basalplane must be 1, 2, or 3, but got $option" Thanks for reporting this. Best regards, Tone -- J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia? (tel: +386-1-477-3523 // fax: +386-1-251-9385) From venkyphysicsiitm at gmail.com Wed Aug 23 18:04:47 2017 From: venkyphysicsiitm at gmail.com (venkatesh chandragiri) Date: Thu, 24 Aug 2017 00:04:47 +0800 Subject: [xcrysden] help me to re-orient the crystal lattice Message-ID: Dear xcrysden users, I want to make a structure file such that my global c-axis/z-axis was parallel to the local octahedral axis (Here, local z-axis is along two oxygen atoms with longer distance of each octahedra). Kindly, let me know the procedure to play the oreintation of global axis of the crystal or changing the orientation of the entire unit cell such that my new unit cell has all octahedra with new orientation with respect to the global axis (local z-axis parallel to the global z-axis). I am attaching here xsf file for your reference. thanks with best regards, venkatesh -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/xcrysden/attachments/20170824/42e2a456/attachment.htm -------------- next part -------------- A non-text attachment was scrubbed... Name: Li3_3.xsf Type: application/octet-stream Size: 6734 bytes Desc: not available Url : http://www.democritos.it/pipermail/xcrysden/attachments/20170824/42e2a456/attachment.obj