Re: [Wien] w2web xcrysden problem

://straus.tulane.edu/ From: Gavin Abo Sent: Tuesday, April 23, 2024 10:34 PM To: wien@zeus.theochem.tuwien.ac.at Subject: Re: [Wien] w2web xcrysden problem What WIEN2k version are you using? Could you provide what XCRYSDEN_TOPDIR is? It looks like the Perl code in WIEN2k 23.2 is implemented differently

Re: [Wien] w2web xcrysden problem

What WIEN2k version are you using? Could you provide what XCRYSDEN_TOPDIR is? It looks like the Perl code in WIEN2k 23.2 is implemented differently between that of "view structure" and that of the "Calculate density with XCrysDen" and "View density with XCrysDen" in w2web. For "view

[Wien] w2web xcrysden problem

I am having a problem where only some of the xcrysden functionality works in w2web. Execution-->view structure does not work. The following message is printed: View structure with XCrysDen Requires X-Windows system ... However, if I go to Tasks-->El. Dens. and click either the Calculate density