[Pw_forum] Example07

[Eyvaz Isaev]

Hi Paul,

Enclosed file contains lambda.f90, as well as matdyn.f90 etc. files. In fact, 
matdyn now contains 

all ingredients to calculate lambda and T_c. In this sense lambda.f90 is now 
obsolete, nevertheless,  you can use it.

This files were used within QE 4.2. Any problem, please contact me.

Bests,
Eyvaz.  



________________________________
From: w2agz <w2agz at pacbell.net>
To: PWSCF Forum <pw_forum at pwscf.org>
Sent: Mon, August 30, 2010 3:30:16 AM
Subject: Re: [Pw_forum] Example07


Eyvaz, thanks for getting back.  Good to hear from  you again.  -Paul


From: Eyvaz Isaev 
Sent: Sunday, August 29, 2010 3:36 PM
To: PWSCF Forum 
Subject: Re: [Pw_forum] Example07

Hi  Paul,

No, this is a (g)fortran issue.  I will fix it  asap.

Eyvaz.

 -------------------------------------------------------------------
Prof.  Eyvaz Isaev, 
Department of Physics, Chemistry, and Biology (IFM), Linkoping  University, 
Sweden 

Theoretical Physics Department, Moscow State Institute of  Steel & Alloys, 
Russia, 

isaev at ifm.liu.se, eyvaz_isaev at yahoo.com 




________________________________
 From: w2agz  <w2agz at pacbell.net>
To: pw_forum at pwscf.org
Sent: Sun,  August 29, 2010 11:48:45 PM
Subject: [Pw_forum]  Example07


To All QE Gurus:
 
A few days ago, I downloaded de-tared, configured and  made espresso-4.2.1, both 
on my trusty old linux box, and new Win 7  one running VirtualBox.  On the 
former I use an old Kubuntu  7-something and the latter the most recent release, 
10-something.  Both use  bash shell scripting.  I started running the examples, 
and everything was  going swimmingly until I got to my favorite, Example07, and 
on both boxes got  the same error on the "lambda.x" step (I inserted the 
relevant .f90 code)  below:
****************************************************************
running matdyn for a2F(omega) calculation...   done
  running lambda.x for lambda calculation...At line 98 of file  lambda.f90
Fortran runtime error: Constant string in input  format
(5x,'Gaussian Broadening: ',f7.3,' Ry,  ngauss=',i4)
                           ^
Error condition encountered during test: exit status =  2
Aborting
  
(Fortran code)
 read (iuelph,9000) degauss1,  ngauss1
9000 format(5x,'Gaussian Broadening: ',f7.3,' Ry,  ngauss=',i4)
 
$ECHO "  running lambda.x for lambda  calculation...\c"
$LAMBDA_COMMAND < lambda.in > lambda.out
check_failure  $?         
******************************************************************          
I thought it might be a "check_failure" thing (I've had  trouble with that 
before), so I commented out all references to the exec...but  it still 
occurred.   Maybe a bash issue?
 
-Paul

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