<pre><font size="4">Respected Prof. P. Blaha Sir & All Wien2k users,<br>Sir, I am doing LSDA calculation on rare earth compound and<br>I am facing some minor problem when I calculating elastic moduli.<br>The first problem is that bulk modulus is not coming as calculated in<br>
volume optimization.<br>Sir may I request you to kindly give me any idea to get the approximate<br>value.How can I increase the value of bulk modulus(C11,C12) in this<br>patch. Sir, I have done so many calculation in which I found C44 negative<br>
but I resolved this problem.Sir I am unable to increase the bulk<br>modulus.Sir, I also want to know that, If I do calculation of two different<br>compound on two different port then can it effect each other. Sir, I will be<br>
very grateful to you</font></pre><br><pre><font size="4">With kind Regards<br>And Thanks</font></pre><span style="color: rgb(204, 0, 0);">SANJAY KUMAR SINGH</span><br><span style="color: rgb(51, 51, 255);">RESEARCH SCHOLAR </span><br style="color: rgb(51, 51, 255);">
<span style="color: rgb(51, 51, 255);"></span><span style="color: rgb(0, 102, 0);"> INDIA</span><br style="color: rgb(0, 102, 0);"><span style="color: rgb(0, 102, 0);"></span><br>