<html><head><meta http-equiv="content-type" content="text/html; charset=us-ascii"><style>body { line-height: 1.5; }body { font-family: 'Segoe UI'; color: rgb(0, 0, 0); line-height: 1.5; }</style></head><body>
<div><span></span>Dear <span style="font-family: ''; line-height: 1.5; background-color: window;">Quantum Espresso developers,</span></div><div><span style="font-family: ''; line-height: 1.5; background-color: window;"><br></span></div><div><span style="background-color: window;"><span style="line-height: 1.5;">I want to obtain IR spectra of crystals at room temperature. Considering the temperature effect, I </span>decided<span style="line-height: 1.5;"> to use CPMD. I wonder whether it is possible to get IR spectra from </span></span><span style="font-family: ''; line-height: 1.5; background-color: window;">CPMD trajectory in Quantum Espresso? </span></div><div><span style="font-family: ''; line-height: 1.5; background-color: window;">What's more, can I involve vdw-correction in CPMD? If yes, can IR spectra be calculated in the presence of vdw-correction? </span></div><div><span style="font-family: ''; line-height: 1.5; background-color: window;"><br></span></div><div>Thank you very much!</div><div><br></div><div>Best Regards,</div><hr style="width: 210px; height: 1px;" color="#b5c4df" size="1" align="left">
<div><span><div style="margin: 10px; font-family: verdana; font-size: 15px;"><span style="color: rgb(0, 0, 0); background-color: rgba(0, 0, 0, 0);">Dr. Yin Li <br>Department of Biophysics,Medical School, University of Pecs,<br>No.12 Szigeti Street, Pecs, H-7624, HUNGARY<br>Phone: +36-72-535271/36271</span></div></span></div>
</body></html>