Activity for EPIQ

  • Giovanni Giovanni committed [r95]

    Cleaned linewidth module

  • Giovanni Giovanni committed [r94]

    Dielectric term implemented & tested, bugfix written Fermi level when ef_from_input

  • Giovanni Giovanni committed [r93]

    Bugfix of Fermi level calculation when no disenganglement is needed

  • Giovanni Giovanni committed [r92]

    bugfix Migdal-Eliashberg (now it is tested), bugfix carrier_lifetime, temporarily removed dynmatrix symmetrization (Oliviero impl.) because it is bugged small bug for non collinear in main fixed

  • Giovanni Giovanni committed [r91]

    Bugfix Fermi level noncollinear case

  • Giovanni Giovanni committed [r90]

    small bugfix

  • Giovanni Giovanni committed [r89]

    Bugfix disenganglement, lambda+a2f postprocessing now compile

  • abc abc abc abc committed [r88]

    w90_io merged in the io_var module

  • abc abc abc abc committed [r87]

    Fixed typo in parallel_index_array

  • abc abc abc abc committed [r86]

    Dyn PH freqs collected in just one file + fixed bug on efermi_info_pro

  • abc abc abc abc committed [r85]

    PH linewidth collected in just one file

  • Giovanni Giovanni committed [r84]

    patch_inpfile

  • abc abc abc abc committed [r83]

    input read from one proc and then broadcasted

  • abc abc abc abc committed [r82]

    Added mgb2 tutorial script + patch for qe68 + helping software

  • abc abc abc abc committed [r81]

    timing loop and minor fixes to makefile

  • abc abc abc abc committed [r80]

    Now inputfile is arbitrary, even as direct input <

  • abc abc abc abc committed [r79]

    Now inputfile is arbitrary, even as direct input <

  • Giovanni Giovanni committed [r78]

    new Makefile

  • Giovanni Giovanni committed [r77]

    reworked input

  • Giovanni Giovanni committed [r76]

    Major revision: added Frolich term to electron-phonon coupling in polar materials (written by J.Sjakste)

  • Giovanni Giovanni committed [r75]

    fixed q-sum in electron self-energy

  • Giovanni Giovanni committed [r74]

    old interoplation method temporarily restored

  • Giovanni Giovanni committed [r73]

    added proper treatment of small q's in self energy

  • Giovanni Giovanni committed [r72]

    addressed k-parallelization bug in linewidth and self-energy calculation

  • Giovanni Giovanni committed [r71]

    changed name of variables

  • Giovanni Giovanni committed [r70]

    changed name of variables

  • Oliviero Oliviero committed [r69]

    Symmetrization of the dynamical matrix in phonon_frequency calculation.

  • Giovanni Giovanni committed [r68]

    bugfix in electron self-energy

  • Giovanni Giovanni committed [r67]

    debbugging of electron self energy calculation

  • Giovanni Giovanni committed [r66]

    added possibility to select wannier band(s) in electron self energy calculation (input parameters wan_start;wan_end

  • Giovanni Giovanni committed [r65]

    k-parallelization and revised electron self-energy

  • abc abc abc abc committed [r64]

    k-parallelization for Phon freq + linewidth

  • Giovanni Giovanni committed [r63]

    bugfix written Fermi level

  • Giovanni Giovanni committed [r62]

    debugging

  • Giovanni Giovanni committed [r61]

    added electron lifetime routines and debugged Makefile

  • Giovanni Giovanni committed [r60]

    implementation of electron lifetime calculation

  • abc abc abc abc committed [r59]

    Epiq.F90 reorganized: dump gmat clear out (but still not q-parallelized)

  • abc abc abc abc committed [r58]

    Plot_get_O_r_R_pro with zgemv + Epiq.F90 reorganized: first part clear out

  • abc abc abc abc committed [r57]

    Adding the patch to QE for the new way of writing the operator matrices

  • abc abc abc abc committed [r56]

    Epiq.F90 reorganized: phonon_frequencies clear out

  • abc abc abc abc committed [r55]

    Epiq.F90 reorganized: phonon_freq_grid clear out

  • abc abc abc abc committed [r54]

    Epiq.F90 reorganized: linewidth clear out --final

  • abc abc abc abc committed [r53]

    Epiq.F90 reorganized: linewidth clear out

  • abc abc abc abc committed [r52]

    Epiq.F90 reorganized: variable-tail-reading_input-reading_wannier

  • abc abc abc abc committed [r51]

    Resolved the known bug: why is mandatory epiq.F90:155-189?

  • abc abc abc abc committed [r50]

    First q-parallel ph_linewidth. To be test for nq\=nproc*int and Efermi distance threshold. Known bug: why is mandatory epiq.F90:155-189?

  • abc abc abc abc committed [r49]

    first parallel disentanglement

  • abc abc abc abc committed [r48]

    first parallel disentanglement

  • abc abc abc abc committed [r47]

    first parallel disentanglement

  • Giovanni Giovanni committed [r46]

    test

  • abc abc abc abc committed [r45]

    tidy

  • abc abc abc abc committed [r44]

    changing name

  • abc abc abc abc committed [r43]

    trying to ignore files

  • abc abc abc abc committed [r42]

    first branch commit

  • Matteo Calandra Matteo Calandra committed [r41]

    Corrected several bugs in the interpolation of the

  • Oliviero Oliviero committed [r40]

    Versions polish-up and dyn-mat symm. merged.

  • Oliviero Oliviero committed [r39]

    Bug fixed in dyn-mat symmetrization.

  • Oliviero Oliviero committed [r38]

    Symmetrization of the dynamical matrix in the ph_freq calculation.

  • Matteo Calandra Matteo Calandra committed [r37]

    In the non collinear case the dos was the total dos

  • Matteo Calandra Matteo Calandra committed [r36]

    I introduced a small error when implementing born efective charge.

  • Matteo Calandra Matteo Calandra committed [r35]

    Obsolete

  • Oliviero Oliviero committed [r34]

    Corrections made (small group of q, star q).

  • Matteo Calandra Matteo Calandra committed [r33]

    Oliviero version shifted in branches directory

  • Oliviero Oliviero committed [r32]

    small group of q and star of q in 'ph_freq_grid' calculation

  • Matteo Calandra Matteo Calandra committed [r31]

    New makefile for the frolich vertex

  • Matteo Calandra Matteo Calandra committed [r30]

    This should be the complete implementation of the frolich vertex.

  • Matteo Calandra Matteo Calandra committed [r29]

    The routines inside gvectors.F90 should calculate

  • Matteo Calandra Matteo Calandra committed [r28]

    I extracted from io_routines.F90 the routines

  • Matteo Calandra Matteo Calandra committed [r27]

    I extracted from io_routines.F90 the routines

  • Matteo Calandra Matteo Calandra committed [r26]

    After comparison with Quantum Espresso 6.3 the linewidth

  • Matteo Calandra Matteo Calandra committed [r25]

    After comparison with Quantum Espresso 6.3 the linewidth

  • Matteo Calandra Matteo Calandra committed [r24]

    The option calculation='gmat' was not working.

  • Matteo Calandra Matteo Calandra committed [r23]

    This routine generates the G vector from -ngx,y,z to +ngx,y,z

  • Matteo Calandra Matteo Calandra committed [r22]

    Beginning of implementation of the froelich vertex as in

  • Matteo Calandra Matteo Calandra committed [r21]

    Calculation of phonon frequencies, test without symmetrization.

  • Matteo Calandra Matteo Calandra committed [r20]

    This is a test for the phonon linewidth between epiq svn

  • Matteo Calandra Matteo Calandra committed [r19]

    This is a benchmark case for the calculation

  • Matteo Calandra Matteo Calandra committed [r18]

    For better readability I have extracted all the options

  • Matteo Calandra Matteo Calandra committed [r17]

    Makefile for new version of epiq with

  • Matteo Calandra Matteo Calandra committed [r16]

    Some comments explaining what we calculate in the routine

  • Matteo Calandra Matteo Calandra committed [r15]

    I corrected a small harmless bug. A bad definition

  • Matteo Calandra Matteo Calandra committed [r14]

    The calculation of the phonon linewidth is now

  • Matteo Calandra Matteo Calandra committed [r13]

    make.sys for polish-up version

  • Matteo Calandra Matteo Calandra committed [r12]

    Added bin directory for polishup version

  • Matteo Calandra Matteo Calandra committed [r11]

    Added src to polish-up version

  • Matteo Calandra Matteo Calandra committed [r10]

    Polished version of epiq shold stay in this directory.

  • Matteo Calandra Matteo Calandra committed [r9]

    Spurious dependence from broyden.f90 eliminated

  • Matteo Calandra Matteo Calandra committed [r8]

    Polish up, several writing eliminated from

  • Matteo Calandra Matteo Calandra committed [r7]

    Added the case imp.ne.0 namely when minus q

  • Matteo Calandra Matteo Calandra committed [r6]

    Example MgB2: Wannierisation step.

  • Matteo Calandra Matteo Calandra committed [r5]

    Upload of directory for MgB2 example.

  • Matteo Calandra Matteo Calandra committed [r4]

    Initial Version of EPIQ SVN.

  • Matteo Calandra Matteo Calandra committed [r3]

    Initial make.sys and instructions

  • Matteo Calandra Matteo Calandra committed [r2]

    Add initial directories

  • Matteo Calandra Matteo Calandra committed [r1]

    Add initial directories

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