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quantum-espresso/XSpectra/examples/reference
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Iurii Timrov 39a77cecc0 New input hubbard 2022-02-17 21:28:26 +00:00
..
C.wfc XSpectra re-organized. Fix compilation problems with pw/read_file 2011-08-09 13:09:50 +00:00
Cu.scf.in Example of the calculation of the L23 edge in Cu. 2015-07-23 20:10:22 +00:00
Cu.scf.out Example of the calculation of the L23 edge in Cu. 2015-07-23 20:10:22 +00:00
Cu.wfc Example of the calculation of the L23 edge in Cu. 2015-07-23 20:10:22 +00:00
Cu_halfh.scf.in Example of the calculation of the L23 edge in Cu. 2015-07-23 20:10:22 +00:00
Cu_halfh.scf.out Example of the calculation of the L23 edge in Cu. 2015-07-23 20:10:22 +00:00
Cu_halfh_xspectra.in Example of the calculation of the L23 edge in Cu. 2015-07-23 20:10:22 +00:00
Cu_halfh_xspectra.out Example of the calculation of the L23 edge in Cu. 2015-07-23 20:10:22 +00:00
Cu_halfh_xspectra_xonlyplot.in Example of the calculation of the L23 edge in Cu. 2015-07-23 20:10:22 +00:00
Cu_xanes_L2.dat Example of the calculation of the L23 edge in Cu. 2015-07-23 20:10:22 +00:00
Cu_xanes_L2.sav Example of the calculation of the L23 edge in Cu. 2015-07-23 20:10:22 +00:00
Cu_xanes_L2_lplus.dat Example of the calculation of the L23 edge in Cu. 2015-07-23 20:10:22 +00:00
Cu_xanes_L2_lplus.sav Example of the calculation of the L23 edge in Cu. 2015-07-23 20:10:22 +00:00
Cu_xspectra.in Eliminated edge='L23' as input variable from the examples. 2015-08-23 10:16:46 +00:00
Cu_xspectra.out Example of the calculation of the L23 edge in Cu. 2015-07-23 20:10:22 +00:00
Cu_xspectra_lplus.in Example of the calculation of the L23 edge in Cu. 2015-07-23 20:10:22 +00:00
Cu_xspectra_lplus.out Example of the calculation of the L23 edge in Cu. 2015-07-23 20:10:22 +00:00
Cuhalfh_xanes_L2.dat Example of the calculation of the L23 edge in Cu. 2015-07-23 20:10:22 +00:00
Cuhalfh_xanes_L2.sav Example of the calculation of the L23 edge in Cu. 2015-07-23 20:10:22 +00:00
Cuhalfh_xanes_L2_xonlyplot.dat Example of the calculation of the L23 edge in Cu. 2015-07-23 20:10:22 +00:00
Ni.wfc XSpectra re-organized. Fix compilation problems with pw/read_file 2011-08-09 13:09:50 +00:00
NiO.scf.in New input hubbard 2022-02-17 21:28:26 +00:00
NiO.scf.out New input hubbard 2022-02-17 21:28:26 +00:00
NiO.xspectra_dip.dat New input hubbard 2022-02-17 21:28:26 +00:00
NiO.xspectra_dip.in New input hubbard 2022-02-17 21:28:26 +00:00
NiO.xspectra_dip.out New input hubbard 2022-02-17 21:28:26 +00:00
NiO.xspectra_dip.sav New input hubbard 2022-02-17 21:28:26 +00:00
NiO.xspectra_dip_replot.dat New input hubbard 2022-02-17 21:28:26 +00:00
NiO.xspectra_dip_replot.in New input hubbard 2022-02-17 21:28:26 +00:00
NiO.xspectra_dip_replot.out New input hubbard 2022-02-17 21:28:26 +00:00
NiO.xspectra_qua.dat New input hubbard 2022-02-17 21:28:26 +00:00
NiO.xspectra_qua.in New input hubbard 2022-02-17 21:28:26 +00:00
NiO.xspectra_qua.out New input hubbard 2022-02-17 21:28:26 +00:00
NiO.xspectra_qua.sav New input hubbard 2022-02-17 21:28:26 +00:00
Si.wfc XSpectra re-organized. Fix compilation problems with pw/read_file 2011-08-09 13:09:50 +00:00
SiO2.scf.in Corrected reference for the SiO2 example 2015-08-20 14:27:58 +00:00
SiO2.scf.out Corrected reference for the SiO2 example 2015-08-20 14:27:58 +00:00
SiO2.xspectra_dip_c.dat Corrected reference for the SiO2 example 2015-08-20 14:27:58 +00:00
SiO2.xspectra_dip_c.in Corrected reference for the SiO2 example 2015-08-20 14:27:58 +00:00
SiO2.xspectra_dip_c.out Corrected reference for the SiO2 example 2015-08-20 14:27:58 +00:00
SiO2.xspectra_dip_c.sav Corrected reference for the SiO2 example 2015-08-20 14:27:58 +00:00
SiO2.xspectra_dip_plane.dat Corrected reference for the SiO2 example 2015-08-20 14:27:58 +00:00
SiO2.xspectra_dip_plane.in Corrected reference for the SiO2 example 2015-08-20 14:27:58 +00:00
SiO2.xspectra_dip_plane.out Corrected reference for the SiO2 example 2015-08-20 14:27:58 +00:00
SiO2.xspectra_dip_plane.sav Corrected reference for the SiO2 example 2015-08-20 14:27:58 +00:00
SiO2.xspectra_dip_restart_1.in Corrected reference for the SiO2 example 2015-08-20 14:27:58 +00:00
SiO2.xspectra_dip_restart_1.out Corrected reference for the SiO2 example 2015-08-20 14:27:58 +00:00
SiO2.xspectra_dip_restart_1.sav Corrected reference for the SiO2 example 2015-08-20 14:27:58 +00:00
SiO2.xspectra_dip_restart_2.dat Corrected reference for the SiO2 example 2015-08-20 14:27:58 +00:00
SiO2.xspectra_dip_restart_2.in Corrected reference for the SiO2 example 2015-08-20 14:27:58 +00:00
SiO2.xspectra_dip_restart_2.out Corrected reference for the SiO2 example 2015-08-20 14:27:58 +00:00
SiO2.xspectra_dip_restart_2.sav Corrected reference for the SiO2 example 2015-08-20 14:27:58 +00:00
diamond.scf.in Corrected reference results for the diamond example 2015-08-20 14:45:04 +00:00
diamond.scf.out Corrected reference results for the diamond example 2015-08-20 14:45:04 +00:00
diamond.xspectra.dat Corrected reference results for the diamond example 2015-08-20 14:45:04 +00:00
diamond.xspectra.in Corrected reference results for the diamond example 2015-08-20 14:45:04 +00:00
diamond.xspectra.out Corrected reference results for the diamond example 2015-08-20 14:45:04 +00:00
diamond.xspectra.sav Corrected reference results for the diamond example 2015-08-20 14:45:04 +00:00
diamond.xspectra_fermi.in Corrected reference results for the diamond example 2015-08-20 14:45:04 +00:00
diamond.xspectra_fermi.out Corrected reference results for the diamond example 2015-08-20 14:45:04 +00:00
diamond.xspectra_replot.dat Corrected reference results for the diamond example 2015-08-20 14:45:04 +00:00
diamond.xspectra_replot.in Corrected reference results for the diamond example 2015-08-20 14:45:04 +00:00
diamond.xspectra_replot.out Corrected reference results for the diamond example 2015-08-20 14:45:04 +00:00
diamondh.scf.in Corrected reference results for the diamond example 2015-08-20 14:45:04 +00:00
diamondh.scf.out Corrected reference results for the diamond example 2015-08-20 14:45:04 +00:00
diamondh.xspectra.dat Corrected reference results for the diamond example 2015-08-20 14:45:04 +00:00
diamondh.xspectra.in Corrected reference results for the diamond example 2015-08-20 14:45:04 +00:00
diamondh.xspectra.out Corrected reference results for the diamond example 2015-08-20 14:45:04 +00:00
diamondh.xspectra.sav Corrected reference results for the diamond example 2015-08-20 14:45:04 +00:00
diamondh.xspectra_fermi.in Corrected reference results for the diamond example 2015-08-20 14:45:04 +00:00
diamondh.xspectra_fermi.out Corrected reference results for the diamond example 2015-08-20 14:45:04 +00:00