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Dear Paolo,<br>
<br>
Thank you very much for your kind reply.<br>
<br>
>>>>> </span>variable 'filelph' is obsolete and no longer used. The documentation<br>
is incorrect. Thank you for noticing this, it will be fixed in the<br>
next version<br>
<br>
It implies that we can't see the individual electron-phonon <br>
matrix elements in new version.<br>
I think it's not a good decision.<br>
To be confirmed with my results,<br>
I ran an identical program of electron phonon<br>
calculation using la2F flag in new the version as well as <br>
using the old method (scf nscf without la2F).<br>
Surprisingly, I'm getting different results still using <br>
the identical input parameters for both case. I'm really confused and<br>
that's why I want to find out the exact origin of this mismatch <br>
by debugging the every steps of the calculations.<br>
I want to write every element of the g-matrix (electron-phonon matrix).<br>
<br>
I have one more question.<br>
<br>
I'm trying to calculate the el-ph coupling for a large system with<br>
30 atoms per unit cell .<br>
So it's calculaing 30 x3 = 90 represntations ( should take 6 months <br>
in a non - parallel single node computer ) before giving lambda<br>
values.<br>
So my question is, <br>
is it possible to run the el-ph part in parallel cluster????<br>
Is it possible to restart the jobs if it get killed in the mid way???<br>
Is it possible to calculate different reprensentations or phonon modes separetly???<br>
<br>
There are Representation # 90 , mode # 90 <br>
like this<br>
<br>
Atomic displacements:<br>
There are 90 irreducible representations<br>
<br>
Representation 1 1 modes - To be done<br>
<br>
Representation 2 1 modes - To be done<br>
<br>
Representation 3 1 modes - To be done<br>
<br>
Representation 4 1 modes - To be done<br>
<br>
Representation 5 1 modes - To be done<br>
<br>
Representation 6 1 modes - To be done<br>
<br>
........ <br>
....... <br>
....... and so on.....<br>
<br>
<br>
It takes 2 days for a single Representation.<br>
<br>
So I'll be highly obliged if you kindly give me some <br>
valuable suggestions to overcome this problem.<br>
<br>
Regards,<br>
Amit<br>
<br>
<span class="q"><br>
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<div style="direction: ltr;">>variable 'filelph' is obsolete and no longer used. The documentation<br>is incorrect. Thank you for noticing this, it will be fixed in the<br>next version<br><br>Paolo<br>---<br>Paolo Giannozzi, Democritos and University of Udine, Italy
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