Dear Blaha,<br><br> Thanks for your reply first.<br> I have tried to run it in the command line.But I have a question about it.When I have done what has been listed in the pop-up window.How can I got the fermi-surface with the current xcrysden? It still has the same ERROR message while clicking the "render fermi surface".Or this is a waste of time, I should get a version which matches.<br>
I get the Wien2k version 2008.1, which version of XCrysDen shall I use?<br> Thanks again.<br><br> Have a nice day!<br><br><br> Pan Deng<br> Nanjing University<br>