eyvaz_isaev at yahoo.com
Sun Dec 12 19:26:46 CET 2010
From: W2AGZ <w2agz at w2agz.com>
>My bad (mea culpa). I thought I had inserted the “new Fortran code” you sent me
>a >few months ago, but on replacement and “make,” I must have screwed up
Please check it.
>In the meantime, you state the new matdyn.x “replaces all the old stuff, e.g.
>>lambda.x” used in example07. Is there an “updated example07” that illustrates
>the >new methodology? I follow the path illustrated in example07 a fair amount
>in my >attempts to simulate electron-phonon mediated Eliashberg-McMillan
No, I will update this example. Thanks bringing this inconsistency to our
attention. But lambda.f90 should work.
>Last September you sent me a tar-file with the f90 code for elphon, lambda,
>>matdyn, phcom and qr2 along with matdyn.in.dos and qr2.in. I take it all are
>>required to “fix” example07? Or just matdyn? I see the two text input files
>must be >“plugged into” run_example because of the new nsig flag. Anyway, I’ll
>see if I can >get the “old” example07 to work.
I suppose you should take all these files. "nsig" by default is 10. But these
files were tested for 4.2 version.
>BTW, I’ve observed one can have gfortran compiler issues with example07...go to
Fortunately, I have never got such kind misbehavior of the code due to a
compiler. For me the code always worked smoothly. Only once I got very unusual
lambda's, but it was due to a system error, as when I restarted it was OK.
>I note phq_readin still contains the error message 'The phonon code with LDA+U
>is >not yet available.' Any idea when it might be available? I would be a very
>willing >beta tester.
As far as I remember Matteo C. said "phonons with LDA+U" is almost ready, but
still there are some problems, I guess. Sorry, but I am the first in the queue
Let us ask Matteo again about this opportunity.
>BTW (again), I’m having occasional iotk problems running the PH code on both 4.0
>>and 4.2.1...see my original forum posting at http://www.democritos.it/pipermail
>/pw_forum/2010-March/016356.htmland Paolo’s reply
Sorry, but the first link was posted by Miguel, not you. Nevertheless, I
Have you tried g95?
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