<br><br>
<span id="_user_wierzbom@ts.infn.it" style="color: rgb(121, 6, 25);"><span style="padding: 0pt 1px 1px 0pt;"></span>Dear Malgorzata,<br>
<br>
It's very nice to recieve your useful suggestions.<br>
I tried all the combinations---> <br>
</span>32 32 4 0 0 0, 32 32 32, <br>
32 32 4 1 1 1 --->>> every possible combinations before posting this<br>
problem on the forum.<br>
But I got the same following error again and again.<br>
<br>
electron-phonon interaction ...<br>
<br>
<br>
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
from lint : error # 23<br>
cannot remap grid on k-point list<br>
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
<br>
stopping ...<br>
<br>
<br>
I think the source of the above error is something different.<br>
<br>
My guess::::<br>
<br>
The dense grid must contain all k and k+q grid points used in the <br>
e-p calculation.<br>
<br>
How do we know the above condition has been satisfied for automatic <br>
generated k and q points with nk1=32, nk2=32, nk3=4 and <br>
nq1=4, nq2=4, nq3=1??????<br>
<br>
Here is my q-point grid::::<br>
<br>
Calculation of the dynamical matrices for ( 4, 4, 1,) uniform grid of q-points<br>
( 7q-points):<br>
N
xq(1)
xq(2) xq(3)<br>
1
0.00000 0.00000 0.00000<br>
2
0.00000 0.28868 0.00000<br>
3
0.00000 -0.57735 0.00000<br>
4
0.25000 0.14434 0.00000<br>
5
0.25000 0.43301 0.00000<br>
6 -0.50000 -0.28868 0.00000<br>
7
-0.50000 0.00000 0.00000<br>
<br>
And my k-points grid is here:::: <br>
<br>
number of k points=
166 gaussian broad. (ryd)= 0.0100
nga<br>
uss = 1<br>
cart. coord. in units 2pi/a_0<br>
k( 1) =
( 0.0000000 0.0000000 0.0000000),
wk = 0.0<br>
312500<br>
k( 2) =
( 0.0000000 0.2886751 0.0000000),
wk = 0.0<br>
000000<br>
k( 3) =
( 0.0000000 0.1443376 0.0000000),
wk = 0.0<br>
104167<br>
k( 4) =
( 0.0000000 0.4330127 0.0000000),
wk = 0.0<br>
000000<br>
<br>
*<br>
*<br>
<span id="_user_wierzbom@ts.infn.it" style="color: rgb(121, 6, 25);">
* k( 166) = ( 0.2500000
0.8660254 0.0000000), wk = 0.0000000<br>
<br>
</span> See!!!! 0.28868 and 0.2886751 are not exactly equal.<br>
<br>
Is this the possible reason for the error like <br>
"cannot remap grid on k-point list"?????<br>
<br>
I'm not sure any other there might be any other.<br>
Please help me to find out the unknown reason of this well known<br>
error and give me some clue to get rid of this error.<br>
<br>
Thank you again for your very very useful letter.<br>
<br>
Regards,<br>
Amit <br>
<span id="_user_wierzbom@ts.infn.it" style="color: rgb(121, 6, 25);"> <br>
<br>
</span><div><span class="gmail_quote"></span><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;"> </blockquote></div><br>