GitHub - MarioAndWario/QETools

Klength in qeig.sh, qouteig.sh, qsaveeig.sh have the units of 1/Angstrom

That is, if we have a real space 1D lattice vector a (Angstrom) then \Gamma-X path will have length of Pi/a (Angstrom^{-1})

Name		Name	Last commit message	Last commit date
Latest commit History 45 Commits
qeig		qeig
qrelaxed		qrelaxed
qrm		qrm
qsaveeig		qsaveeig
qtovpos		qtovpos
.gitignore		.gitignore
KPtoGen.sh		KPtoGen.sh
README.md		README.md
arrange_bands_spin.sh		arrange_bands_spin.sh
changez.sh		changez.sh
checkloopdir.sh		checkloopdir.sh
extractband.sh		extractband.sh
get_pdos.sh		get_pdos.sh
jdos.py		jdos.py
pwcheckdone.sh		pwcheckdone.sh
qassemble.sh		qassemble.sh
qcp.sh		qcp.sh
qecutnb.sh		qecutnb.sh
qeig.sh		qeig.sh
qekdist.sh		qekdist.sh
qeksplit.sh		qeksplit.sh
qeksplit2.sh		qeksplit2.sh
qemerge.sh		qemerge.sh
qepw2bgw.sh		qepw2bgw.sh
qevmtmerge.sh		qevmtmerge.sh
qinsplit.sh		qinsplit.sh
qkgridtrim.sh		qkgridtrim.sh
qouteig.sh		qouteig.sh
qouteig_Eg.sh		qouteig_Eg.sh
qouteig_eqp.sh		qouteig_eqp.sh
qouteig_eqp_mag.V1.0.sh		qouteig_eqp_mag.V1.0.sh
qouteig_eqp_mag.sh		qouteig_eqp_mag.sh
qouteig_freqcutoff.sh		qouteig_freqcutoff.sh
qouteig_imagfreq_analysis.sh		qouteig_imagfreq_analysis.sh
qouteig_list.sh		qouteig_list.sh
qouteig_mag.sh		qouteig_mag.sh
qouteig_realfreq_analysis.sh		qouteig_realfreq_analysis.sh
qpdos.sh		qpdos.sh
qrelaxed.sh		qrelaxed.sh
qrelaxed_r.sh		qrelaxed_r.sh
qrelaxed_v.sh		qrelaxed_v.sh
qrm.sh		qrm.sh
qrm_allWFN.sh		qrm_allWFN.sh
qrm_allWFN_a.sh		qrm_allWFN_a.sh
qsaveeig.sh		qsaveeig.sh
qtovpos.sh		qtovpos.sh
smartshift.sh		smartshift.sh
subloopdir.sh		subloopdir.sh
subsubsamplewfnq.V3.sh		subsubsamplewfnq.V3.sh
wrm.sh		wrm.sh

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