<span class="Apple-style-span" style="font-family: arial, sans-serif; font-size: 13px; border-collapse: collapse; ">Dear Peter Blaha Sir and wien2k users,</span><div><span class="Apple-style-span" style="font-family: arial, sans-serif; font-size: 13px; border-collapse: collapse; "><br>
</span></div><div><span class="Apple-style-span" style="font-family: arial, sans-serif; font-size: 13px; border-collapse: collapse; "> I have a question regarding the effect on structure due to temperature. There is a option in min_lapw in wien2k (<b>user guide section 8.15.3</b> , <b>page 138</b>) , we can create the case.inM file in such a way to get temperature dependent molecular dynamics by using NOSE thermostat. I do not know much about that. But is that a way to create some temperature dependent effect on the structure?....looking forward to your answer very eagerly. </span></div>
<div><span class="Apple-style-span" style="font-family: arial, sans-serif; font-size: 13px; border-collapse: collapse; "><br></span></div><div><span class="Apple-style-span" style="font-family: arial, sans-serif; font-size: 13px; border-collapse: collapse; ">With best regards,</span></div>
<div><span class="Apple-style-span" style="font-family: arial, sans-serif; font-size: 13px; border-collapse: collapse; "><br></span></div><div><span class="Apple-style-span" style="font-family: arial, sans-serif; font-size: 13px; border-collapse: collapse; ">Shamik Chakrabarti</span></div>