<html><head><meta http-equiv="content-type" content="text/html; charset=ISO-8859-1"><style>body { line-height: 1.5; }body { font-size: 10.5pt; font-family: Tahoma; color: rgb(0, 0, 0); line-height: 1.5; }body { font-size: 10.5pt; font-family: Tahoma; color: rgb(0, 0, 0); line-height: 1.5; }</style></head><body>
<div>Dear all<span></span></div><div><br></div><div>I am wondering if I can calculate the absorption spectra for systems with unpaired electrons, e.g. O2 molecule, in QE. <span style="font-size: 10.5pt; line-height: 1.5; background-color: window;">It seems that the TDDFT modules (both turbo_lanczos and turbo_davidson) do not handle spin-polarized calculations, the GWW module don't either.</span></div><div><span style="font-size: 10.5pt; line-height: 1.5; background-color: window;"><br></span></div><div><span style="font-size: 10.5pt; line-height: 1.5; background-color: window;">Could you please help me on this?</span></div><div><span style="font-size: 10.5pt; line-height: 1.5; background-color: window;"><br></span></div><div><span style="font-size: 10.5pt; line-height: 1.5; background-color: window;">Thanks & Regards</span></div><div><span style="font-size: 10.5pt; line-height: 1.5; background-color: window;"><br></span></div><div><span style="font-size: 10.5pt; line-height: 1.5; background-color: window;"><br></span></div></body></html>