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Quantum Espresso
Quantum Espresso
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
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
module load library/atlas/3.10.2 ./configure --prefix=/sw/qe/espresso-5.3.0 make all
Reference
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