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<div><span></span>Dear all,</div><div><br></div><div>I am a beginner in Quantum Espresso. After phonon calculation, I am trying to <span style="font-family: ''; line-height: 1.5; background-color: window;">find the displacement vector for each atom in the dynamic matrix file. I found that for every vibrational mode, there are 3*6 array of data for describing atoms. What do these number mean? Is there any displacement vector inside those numbers?</span></div><div><br></div><div>Thanks a lot for your kind help!</div><div><br></div><div><span style="font-family: "" segoe="" ui'";="" font-size:="" 16px;="" color:="" rgb(0,="" 0,="" 0);="" background-color:="" rgba(0,="" font-weight:="" normal;="" font-style:="" normal;text-decoration:="" none;'="">Part of my dynamic matrix file:</span></div><div><span style="font-family: "" segoe="" ui'";="" font-size:="" 16px;="" color:="" rgb(0,="" 0,="" 0);="" background-color:="" rgba(0,="" font-weight:="" normal;="" font-style:="" normal;text-decoration:="" none;'=""><br></span></div><div><span style="font-family: "" segoe="" ui'";="" font-size:="" 16px;="" color:="" rgb(0,="" 0,="" 0);="" background-color:="" rgba(0,="" font-weight:="" normal;="" font-style:="" normal;text-decoration:="" none;'=""> Dynamical Matrix in cartesian axes<br><br> q = ( 0.000000000 0.000000000 0.000000000 ) <br><br> 1 1<br> 1.07466683 0.00000000 -0.16730182 0.00000000 -0.04926243 0.00000000<br> -0.16730182 0.00000000 1.10179265 0.00000000 -0.05542029 0.00000000<br> -0.04926243 0.00000000 -0.05542029 0.00000000 1.20700817 0.00000000<br> 1 2<br> -0.37755139 0.00000000 0.17915431 0.00000000 -0.20095726 0.00000000<br> 0.17868283 0.00000000 -0.23320405 0.00000000 0.13215058 0.00000000<br> -0.20230280 0.00000000 0.13321771 0.00000000 -0.26289563 0.00000000</span></div><div><span style="font-family: "" segoe="" ui'";="" font-size:="" 16px;="" color:="" rgb(0,="" 0,="" 0);="" background-color:="" rgba(0,="" font-weight:="" normal;="" font-style:="" normal;text-decoration:="" none;'=""><br></span></div><div><span style="font-family: "" segoe="" ui'";="" font-size:="" 16px;="" color:="" rgb(0,="" 0,="" 0);="" background-color:="" rgba(0,="" font-weight:="" normal;="" font-style:="" normal;text-decoration:="" none;'=""><br></span></div><div><span style="font-family: "" segoe="" ui'";="" font-size:="" 16px;="" color:="" rgb(0,="" 0,="" 0);="" background-color:="" rgba(0,="" font-weight:="" normal;="" font-style:="" normal;text-decoration:="" none;'="">Best Regards,</span></div><div><span style="font-family: "" segoe="" ui'";="" font-size:="" 16px;="" color:="" rgb(0,="" 0,="" 0);="" background-color:="" rgba(0,="" font-weight:="" normal;="" font-style:="" normal;text-decoration:="" none;'="">Yin</span></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>
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