GitHub - MarioAndWario/QETools

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Name	Name	Last commit message	Last commit date
Latest commit MarioAndWario add subsubsamplewfnq.V3.sh Mar 10, 2021 f4d9110 · Mar 10, 2021 History 45 Commits
qeig	qeig	add more qouteig	Jun 9, 2017
qrelaxed	qrelaxed	start qtools	Jan 30, 2016
qrm	qrm	add get_pdos.sh	Jul 22, 2020
qsaveeig	qsaveeig	add more qouteig	Jun 9, 2017
qtovpos	qtovpos	start qtools	Jan 30, 2016
.gitignore	.gitignore	start qtools	Jan 30, 2016
KPtoGen.sh	KPtoGen.sh	add KPtoGen.sh and arrange_bands_spin.sh	Jan 14, 2018
README.md	README.md	add more qouteig	Jun 9, 2017
arrange_bands_spin.sh	arrange_bands_spin.sh	add KPtoGen.sh and arrange_bands_spin.sh	Jan 14, 2018
changez.sh	changez.sh	add changez.sh	Feb 28, 2016
checkloopdir.sh	checkloopdir.sh	add checkloopdir.sh and subloopdir.sh	Jan 30, 2021
extractband.sh	extractband.sh	add more qouteig	Jun 9, 2017
get_pdos.sh	get_pdos.sh	add get_pdos.sh	Jul 22, 2020
jdos.py	jdos.py	jdos.py	Jul 22, 2020
pwcheckdone.sh	pwcheckdone.sh	start qtools	Jan 30, 2016
qassemble.sh	qassemble.sh	start qtools	Jan 30, 2016
qcp.sh	qcp.sh	update qcp.sh for new QE version	Oct 14, 2020
qecutnb.sh	qecutnb.sh	qecutnb.sh V1.0	Jul 13, 2016
qeig.sh	qeig.sh	start qtools	Jan 30, 2016
qekdist.sh	qekdist.sh	Add qekdist.sh and qemerge.sh	Aug 16, 2016
qeksplit.sh	qeksplit.sh	update qeksplit and qeksplit2	Jan 20, 2021
qeksplit2.sh	qeksplit2.sh	update qeksplit and qeksplit2	Jan 20, 2021
qemerge.sh	qemerge.sh	Add qekdist.sh and qemerge.sh	Aug 16, 2016
qepw2bgw.sh	qepw2bgw.sh	add qepw2bgw.sh	Dec 18, 2016
qevmtmerge.sh	qevmtmerge.sh	add more qouteig	Jun 9, 2017
qinsplit.sh	qinsplit.sh	start qtools	Jan 30, 2016
qkgridtrim.sh	qkgridtrim.sh	start qtools	Jan 30, 2016
qouteig.sh	qouteig.sh	sync with sta2	Nov 22, 2019
qouteig_Eg.sh	qouteig_Eg.sh	update for sta2	Dec 29, 2017
qouteig_eqp.sh	qouteig_eqp.sh	update for sta2	Dec 29, 2017
qouteig_eqp_mag.V1.0.sh	qouteig_eqp_mag.V1.0.sh	add qouteig_eqp_mag.V1.0.sh qrm_allWFN_a.sh smartshift.sh	Nov 22, 2019
qouteig_eqp_mag.sh	qouteig_eqp_mag.sh	add qouteig_eqp_mag.sh	Nov 22, 2019
qouteig_freqcutoff.sh	qouteig_freqcutoff.sh	add qouteig_freqcutoff.sh	Oct 16, 2020
qouteig_imagfreq_analysis.sh	qouteig_imagfreq_analysis.sh	able to set NDeltaE in qouteig_imagfreq_analysis.sh	Nov 21, 2020
qouteig_list.sh	qouteig_list.sh	add more qouteig	Jun 9, 2017
qouteig_mag.sh	qouteig_mag.sh	fixed nspin problem in qouteig.sh	Jan 14, 2018
qouteig_realfreq_analysis.sh	qouteig_realfreq_analysis.sh	add tools to analyze frequency parameters in GW	Nov 13, 2020
qpdos.sh	qpdos.sh	add script to arrange pdos from QE	Feb 2, 2016
qrelaxed.sh	qrelaxed.sh	start qtools	Jan 30, 2016
qrelaxed_r.sh	qrelaxed_r.sh	start qtools	Jan 30, 2016
qrelaxed_v.sh	qrelaxed_v.sh	start qtools	Jan 30, 2016
qrm.sh	qrm.sh	add qrm.sh	Jun 28, 2016
qrm_allWFN.sh	qrm_allWFN.sh	add get_pdos.sh	Jul 22, 2020
qrm_allWFN_a.sh	qrm_allWFN_a.sh	add qouteig_eqp_mag.V1.0.sh qrm_allWFN_a.sh smartshift.sh	Nov 22, 2019
qsaveeig.sh	qsaveeig.sh	I put q4eig.sh into wtools/weig.sh	Jul 9, 2016
qtovpos.sh	qtovpos.sh	start qtools	Jan 30, 2016
smartshift.sh	smartshift.sh	add qouteig_eqp_mag.V1.0.sh qrm_allWFN_a.sh smartshift.sh	Nov 22, 2019
subloopdir.sh	subloopdir.sh	add checkloopdir.sh and subloopdir.sh	Jan 30, 2021
subsubsamplewfnq.V3.sh	subsubsamplewfnq.V3.sh	add subsubsamplewfnq.V3.sh	Mar 10, 2021
wrm.sh	wrm.sh	start qtools	Jan 30, 2016

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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})

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