<div dir="ltr"><div><div><div><div><div><div><div><div><div><div><div><div>Respected Sir,<br><br></div> Thank You sir for your reply.<br><br></div><div>200 GB is my the disk space not the ram memory.<br><br></div><div>Here I am writing the complete procedure what I have followed <br>
<br></div>First I have completed the scf by using the 8*8*8 k mesh.<br><br></div>After completing the scf, I have done the band structure calculation as follows.<br></div>I have created the case.klist_band from the w2web page and then i followed the command x lapw1 -band, x spaghetti. <br>
</div>Now I got the band structure.<br><br></div>Then I copied the case.struct to case.ksym. In the case.ksym file I have removed the all symmetry matrix except the 1 symmetry where I have the diagonal points 1 1 1.<br>
</div>
Then I used x kgen -so and took the 8*8*8 mesh and got total 512 points in the irriducible Brillouin zone.<br><br></div>Then I ran x lapw1<br></div>find_bands case -2 1<br></div>write_w2win case and then<br></div>write_win<br>
</div>In this point I got the error massage as before<br><div><br></div><div>Thanking You<br></div></div><div class="gmail_extra"><br><br><div class="gmail_quote">On Tue, Sep 3, 2013 at 2:38 PM, Elias Assmann <span dir="ltr"><<a href="mailto:elias.assmann@gmail.com" target="_blank">elias.assmann@gmail.com</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Dear Swetarekha Ram,<div><div class="h5"><br>
<br>
On 09/01/2013 06:17 PM, Swetarekha Ram wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
I am running wannier function programme.<br>
I have followed the UG and could able to reproduce the example.<br>
<br>
Now I was running for other compound, with the perovskite structure.<br>
<br>
When I put the command write_win case, I got the error as below.<br>
I have checked the memory of my system also, I have nearly 200 GB space.<br>
This step need more than this space for the calculation .<br>
Or what could be the reason ?<br>
<br>
glibc detected *** write_win: malloc(): memory corruption:<br>
0x0000000000ec00b0 ***<br>
</blockquote>
<br></div></div>