I thank you very much for your hlep,but there is no relevant information to deal with .WFSX in the PDF.So I read the siesta manual in depth and find that I need use Util/WFS/wfsx2wfs.f to get wfsx2wfs,then ,using it to deal with the .WFSX.however I donot kwon how to compiler wfsx2wfs.f and get wfsx2wfs,could you give a hand.
------------------ ???????? ------------------ ??????: "Andrei Postnikov";<[email protected]>; ????????: 2016??12??9??(??????) ????7:03 ??????: "siesta-l"<[email protected]>; ????: Re: [SIESTA-L] siesta Dear ????, you might find useful to have a look at http://departments.icmab.es/leem/siesta/Documentation/Tutorials/Lyon-2007/Postnikov-visual.pdf (from page 9 on), best regards Andrei Postnikov ----- ???? <[email protected]> a ??crit : > Dear all When complete the calculation of siesta and get a file selected.WFSX,I know it is for LUMO and HOMO,but how to deal with it and plot? I really hope to get your hlep,hope your comment.
