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Title
Quantum ESPRESSO is an Open Source distribution. Authors shall greatly appreciate if scientific work done using Quantum ESPRESSO will contain an explicit acknowledgement and the following reference:
P. Giannozzi, et al J.Phys.:Condens.Matter, 21, 395502 (2009) http://dx.doi.org/10.1088/0953-8984/21/39/395502 . (BibTeX format).
Usage
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module load qe/5.3.0
ls /sw/qe/espresso-5.3.0/bin
average.x dynmat.x generate_rVV10_kernel_table.x kpoints.x phcg.x projwfc.x q2qstar.x turbo_eels.x
bands.x epsilon.x generate_vdW_kernel_table.x lambda.x ph.x pw2bgw.x q2r.x turbo_lanczos.x
bgw2pw.x ev.x importexport_binary.x ld1.x plan_avg.x pw2gw.x q2trans_fd.x turbo_spectrum.x
cppp.x fd_ef.x initial_state.x manypw.x plotband.x pw2wannier90.x q2trans.x wannier_ham.x
cp.x fd_ifc.x input_tmp.in matdyn.x plotproj.x pwcond.x qe_input.xml wannier_plot.x
d3.x fd.x iotk molecularpdos.x plotrho.x pw_export.x spectra_manipulation.x wfck2r.x
dist.x fqha.x iotk_print_kinds.x neb.x pmw.x pwi2xsf.x sumpdos.x wfdd.x
dos.x fs.x iotk.x path_interpolation.x pp.x pw.x turbo_davidson.x xspectra.x |
Installation
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module load library/atlas/3.10.2
./configure --prefix=/sw/qe/espresso-5.3.0
make all
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