[Pw_forum] EPW Superconductivity

[Sridhar Sadasivam]

Hello,

There is a separate mailing list for problems associated with EPW -
http://epwforum.uk/index.php
Please post there in the future as you're more likely to get an answer.

But in this case, I think there is no input variable called "epf_mem" in
EPW.

Best,
Sridhar
Argonne National Lab

On Thu, Jul 28, 2016 at 2:32 AM, Gargee Bhattacharyya <
bhattacharyya.gargee at gmail.com> wrote:

> Dear all,
>              I am trying to calculate *electron-phonon coupling strangth,
> anisotropic Elishberg spectral function , anisotrotic superconducting gap*
> using EPW as instructed from the site given below
>
> http://epw.org.uk/Main/About
>
> http://epw.org.uk/Documentation/Tutorial
>
> I am trying to run EPW on bulk FCC Lead. I shall be highly obliged if
> anyone help me to find my error. I have calculated using the following
> steps:
>
> mpirun -np 4 ../../../../bin/pw.x < scf.in > scf.out
> mpirun -np 4 ../../../../bin/ph.x < ph.in > ph.out
> python pp.py < pp.in
> mpirun -np 4 ../../../../bin/pw.x < scf_epw.in > scf_epw.out
> mpirun -np 4 ../../../../bin/pw.x -npool 4 < nscf_epw.in > nscf_epw.out
> mpirun -np 4 ../../../src/epw.x -npool 4 < epw.in > epw.out
>
> all the calculation were completed successfully except the last epw
> calculation
>
> *mpirun -np 4 ../../../src/epw.x -npool 4 < epw.in <http://epw.in> >
> epw.out*
>
> It is showing error :
>
> Program EPW v.4.0.0 starts on 28Jul2016 at 10:27:15
>
>      This program is part of the open-source Quantum ESPRESSO suite
>      for quantum simulation of materials; please cite
>          "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
>           URL http://www.quantum-espresso.org",
>      in publications or presentations arising from this work. More details
> at
>      http://www.quantum-espresso.org/quote
>
>      Parallel version (MPI), running on     4 processors
>      R & G space division:  proc/nbgrp/npool/nimage =       4
>
>
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>      *Error in routine epw_readin (1):*
> *     reading input_epw namelist*
>
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
>      stopping ...
> --------------------------------------------------------------------------
> MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD
> with errorcode 1.
>
> NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
> You may or may not see output from other processes, depending on
> exactly when Open MPI kills them.
>
>
> *My input file is :*
>
> &inputepw
>   prefix      = 'pb'
>   amass(1)    = 207.2
>   outdir      = './'
>
>   elph        = .true.
>   kmaps       = .false.
>   epbwrite    = .true.
>   epbread     = .false.
>
>   epf_mem     = .true.
>   etf_mem     = .true.
>
>   epwwrite    = .true.
>   epwread     = .false.
>
>   nbndsub     =  4
>   nbndskip    =  0
>
>   wannierize  = .true.
>   num_iter    = 300
>   dis_win_max = 18
>   dis_froz_max= 8
>   proj(1)     = 'Pb:sp3'
>
>   iverbosity  = 0
>
>   elinterp    = .true.
>   phinterp    = .true.
>
>   tshuffle2   = .true.
>   tphases     = .false.
>
>   elecselfen  = .true.
>   phonselfen  = .true.
>   a2f         = .true.
>
>   parallel_k  = .true.
>   parallel_q  = .false.
>
>   fsthick     = 0.5
>   eptemp      = 0.045
>   degaussw    = 0.045
>   degaussq    = 0.05
>
>   dvscf_dir   = './save'
>   filukk      = './pb.ukk'
>
>   nk1         = 6
>   nk2         = 6
>   nk3         = 6
>
>   nq1         = 6
>   nq2         = 6
>   nq3         = 6
>
>   nqf1         = 4
>   nqf2         = 4
>   nqf3         = 4
>   nkf1         = 30
>   nkf2         = 30
>   nkf3         = 30
>  /
>       16 cartesian
>     0.0000000   0.0000000   0.0000000   0.0909090
>    -0.1666667   0.1666667  -0.1666667   0.0909090
>    -0.3333333   0.3333333  -0.3333333   0.0909090
>     0.5000000  -0.5000000   0.5000000   0.0909090
>     0.0000000   0.3333333   0.0000000   0.0909090
>    -0.1666667   0.5000000  -0.1666667   0.0909090
>     0.6666667  -0.3333333   0.6666667   0.0909090
>     0.5000000  -0.1666667   0.5000000   0.0909090
>     0.3333333   0.0000000   0.3333333   0.0909090
>     0.0000000   0.6666667   0.0000000   0.0909090
>     0.8333333  -0.1666667   0.8333333   0.0909090
>     0.6666667   0.0000000   0.6666667   0.0909090
>     0.0000000  -1.0000000   0.0000000   0.0909090
>     0.6666667  -0.3333333   1.0000000   0.0909090
>     0.5000000  -0.1666667   0.8333333   0.0909090
>    -0.3333333  -1.0000000   0.0000000   0.0909090
>
>
> --
> Yours sincerely
>
> Gargee Bhattacharyya
> ​PhD Pursuing
> Metallurgy Engineering & Materials Science
> IIT Indore ​
>
> M.Tech (VLSI Design & Microelectronics Technology)
> Department of ETCE
> Jadavpur University
>
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