[Pw_forum] Reg: alpha2f.x executable is not created while installation with 6.1 version

[Mitsuaki Kawamura]

Dear Dr. P.V.SREENIVASA REDDY

The output file of the tetrahedron version of ph.x is incompatible with the lambda.x.
You have to use alpha2f.x for computing the total lambda and the Eliashberg function.

The components to create alpha2f.x in QE v6.1 can be obtained in
https://raw.githubusercontent.com/QEF/q-e/master/PHonon/PH/Makefile
https://raw.githubusercontent.com/QEF/q-e/master/PHonon/PH/alpha2f.f90
https://raw.githubusercontent.com/QEF/q-e/master/PHonon/PH/elph_tetra_mod.f90
https://raw.githubusercontent.com/QEF/q-e/master/PHonon/PH/make.depend
https://raw.githubusercontent.com/QEF/q-e/master/PHonon/PH/phq_readin.f90
Please put them into the PHonon/PH directory and rebuild QE.
Although these files are for the developing version of QE, they can work together with QE ver. 6.1.

The input file format for alpha2f.x is modified as
cat > al.elph.in << EOF
Al electron-phonon
&INPUTPH
          prefix = 'aluminum',
          outdir = '$TMP_DIR/',
          fildyn = 'al.dyn'
        fildvscf = 'dv',
         fildrho = 'drho',
           ldisp = .true.,
        lshift_q = .true.,
             nq1 = 4,
             nq2 = 4,
             nq3 = 4,
 electron_phonon = "lambda_tetra"
             nk1 = 16,
             nk2 = 16,
             nk3 = 16,
/
&INPUTa2F
 nfreq = 500
/
EOF
mpirun alpha2f.x -in al.elph.in > al.elph.out

Best regards,
Mitsuaki Kawamura

From: pw_forum-bounces at pwscf.org [mailto:pw_forum-bounces at pwscf.org] On Behalf Of Peram sreenivasa reddy
Sent: Tuesday, April 25, 2017 5:44 PM
To: PWSCF Forum <pw_forum at pwscf.org>
Subject: Re: [Pw_forum] Reg: alpha2f.x executable is not created while installation with 6.1 version

Dear Dr. Mitsuaki Kawamura,
Thank you for your reply.
So can i use lambda.x executable to run the following input as given in the example.

cat > lambda.in << EOF
&input
      ne = 500, 
  ltetra = 2, 
  fildyn = "al.dyn", 
  mustar = 0.1, 
  prefix = "$TMP_DIR/aluminum",

---------
Thanking you.


On Tue, Apr 25, 2017 at 1:59 PM, Mitsuaki Kawamura <mkawamura at issp.u-tokyo.ac.jp> wrote:
Dear Dr. P.V.SREENIVASA REDDY

alpha2f.x have not been contained in QE 6.1 yet. Only branch-dependent electron-phonon coupling constant (\lambda_{q \nu}) can be computed in that example.

Best regards,
Mitsuaki Kawamura

From: pw_forum-bounces at pwscf.org [mailto:pw_forum-bounces at pwscf.org] On Behalf Of Peram sreenivasa reddy
Sent: Tuesday, April 25, 2017 4:19 PM
To: PWSCF Forum <pw_forum at pwscf.org>
Subject: [Pw_forum] Reg: alpha2f.x executable is not created while installation with 6.1 version

Dear PWSCF,
I am trying to installing the 6.1 version of PWSCF. After the installation i am not able to get alpha2f.x executable in bin folder.
I  am getting any errors while installation. but to run example file in PHnon/tera_example the alpha2f.x is needed.
Please give suggestions in this regard?
Thanking you.


--
P.V.SREENIVASA REDDY
Research Scholar
Department of Physics
Indian Institute of Technology
Hyderabad

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-- 
P.V.SREENIVASA REDDY
Research Scholar
Department of Physics 
Indian Institute of Technology
Hyderabad