That paper is 11 years old. There is an example of grid phonon calculation in the examples of the phonon code. Please have a look and try that one first (report if ti doesn't work)
Paolo On Tue, Nov 19, 2019 at 5:24 PM M.J. Hutcheon <[email protected]> wrote: > Dear Q.E community, > > I have been attempting to parallelize an electron-phonon calculations > using irreducible representations as described in > > http://users.ictp.it/~pub_off/lectures/lns024/10-giannozzi/10-giannozzi.pdf > > However, my grid setup step with start_irr=0 and last_irr=0 produces no > output and appears to stop early. > > Input file: > > > > &INPUTPH > outdir='.', > trans=.true., > ldisp=.true., > nq1=1, > nq2=1, > nq3=1, > start_irr=0, > last_irr=0, > fildvscf='elph_vscf', > electron_phonon='interpolated', > / > > Output file: > > Normal up to printing of the q-points to be calculated, but then just > stops abruptly before printing anything about the representations to be > done. The last few lines look like: > > Dynamical matrices for ( 1, 1, 1) uniform grid of q-points > ( 1 q-points): > N xq(1) xq(2) xq(3) > 1 0.000000000 0.000000000 0.000000000 > > Weirdly, I had it working for the same system not too long ago, but it is > no longer producing the necessary files in _ph0/pwscf.phsave/ directory. > I've tried a few compilers/versions of q-e (including the developer > version)/combinations of input parameters with the same results. > > Have I made a stupid mistake / has anyone had these problems before? > > Thanks for your time, > > Michael > > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) > users mailing list [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
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