<br><br><div class="gmail_quote">---------- Forwarded message ----------<br>From: <b class="gmail_sendername">bhabya sahoo</b> <span dir="ltr"><<a href="mailto:bdslipun@gmail.com">bdslipun@gmail.com</a>></span><br>Date: Tue, Jan 17, 2012 at 8:37 PM<br>
Subject: Re: vibrational energy<br>To: PWSCF Forum <<a href="mailto:pw_forum@pwscf.org">pw_forum@pwscf.org</a>><br><br><br><br><br><div class="gmail_quote"><div><div></div><div class="h5">On Tue, Jan 17, 2012 at 8:34 PM, bhabya sahoo <span dir="ltr"><<a href="mailto:bdslipun@gmail.com" target="_blank">bdslipun@gmail.com</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
i am using espresso<div>i am calculating vibrational energy of hcp and bcc phase</div><div>by QHA code </div><div>i have got for both the phases. when i am comparing gibbs free energy for both phases</div><div>i have to add cold energy of the respective phases </div>
<div>so weather the vibrational energy obtained from code for hcp phase will be added or half of the vibrational energy</div><div>will be added for hcp phase?</div><div><br></div><div><br></div><div>i am given 0 0 0 for bcc</div>
<div>.33333334,,66666667,.-25</div><div>.6666667,.333333334,.75 for hcp phase</div></blockquote><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div></div></div><div>sahoo B</div><div>
reserch scholar</div>
<div>mumbai </div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div> </div>
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