[Pw_forum] example07...again

[Eyvaz Isaev]

 Hi Paul,



________________________________
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 
>>something...I’ll check.
  

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 
>pairing.  
>
  

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 
>>http://www.democritos.it/pipermail/pw_forum/2010-March/016356.html

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 
list.

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 
>http://www.democritos.it/pipermail
>/pw_forum/2010-December/018852.html
  

Sorry, but the first link was posted by Miguel, not you. Nevertheless, I 
remember.
Have  you tried g95?

Bests, 
Eyvaz.



      
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20101212/3309a095/attachment.html>