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timrov 6a2508049b Added an example how to use turboDavidson with hybrid functionals 
to compute absorption spectrum of the CH4 molecule


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13452 c92efa57-630b-4861-b058-cf58834340f0
 		2017-04-04 12:14:01 +00:00
..
Ag.pbe-dn-rrkjus_psl.0.1.UPF Bugs fixes in the turboEELS code of TDDFPT: 2015-11-30 15:38:45 +00:00
Al.pz-vbc.UPF Implementation of the turboEELS code in the TDDFPT module for calculations of the electron energy loss and inelastic X-ray scattering spectra (see I. Timrov, N. Vast, R. Gebauer, and S. Baroni, Phys. Rev. B 88, 064301 (2013)). 2015-03-23 13:31:01 +00:00
Bi.rel-pz-mt.UPF Implementation of the turboEELS code in the TDDFPT module for calculations of the electron energy loss and inelastic X-ray scattering spectra (see I. Timrov, N. Vast, R. Gebauer, and S. Baroni, Phys. Rev. B 88, 064301 (2013)). 2015-03-23 13:31:01 +00:00
C.blyp-mt.UPF Added an example how to use turboDavidson with hybrid functionals 2017-04-04 12:14:01 +00:00
C.pbe-mt_gipaw.UPF Merged espresso-BANDS into trunk. All the changes are the introduction of EXX into turboTDDFT. Some files in trunk seemed to have gained erroneous (and blank) svn:merginfo tags. These have been removed. 2013-01-31 16:03:51 +00:00
C.pbe-rrkjus.UPF Some Examples added 2009-11-04 10:49:22 +00:00
C.pbe-van_ak.UPF Some Examples added 2009-11-04 10:49:22 +00:00
C.pz-rrkjus.UPF Some Examples added 2009-11-04 10:49:22 +00:00
C.pz-vbc.UPF Examples bug fix 2009-11-24 16:11:27 +00:00
H.blyp-vbc.UPF Added an example how to use turboDavidson with hybrid functionals 2017-04-04 12:14:01 +00:00
H.pbe-rrkjus.UPF Some Examples added 2009-11-04 10:49:22 +00:00
H.pbe-van_ak.UPF Some Examples added 2009-11-04 10:49:22 +00:00
H.pbe-vbc.UPF Merged espresso-BANDS into trunk. All the changes are the introduction of EXX into turboTDDFT. Some files in trunk seemed to have gained erroneous (and blank) svn:merginfo tags. These have been removed. 2013-01-31 16:03:51 +00:00
H.pz-rrkjus.UPF Some Examples added 2009-11-04 10:49:22 +00:00
H.pz-vbc.UPF Examples bug fix 2009-11-24 16:11:27 +00:00
O.pbe-rrkjus.UPF Some Examples added 2009-11-04 10:49:22 +00:00
O.pz-mt.UPF Add the plotting drho function to Davidson algorithm and a example H2O-PLOTRHO. 2014-10-18 15:27:06 +00:00
O.pz-rrkjus.UPF Some Examples added 2009-11-04 10:49:22 +00:00
Si.pbe-n-van.UPF Some Examples added 2009-11-04 10:49:22 +00:00
Si.pbe-rrkj.UPF Some Examples added 2009-11-04 10:49:22 +00:00
Si.pz-vbc.UPF Implementation of the turboEELS code in the TDDFPT module for calculations of the electron energy loss and inelastic X-ray scattering spectra (see I. Timrov, N. Vast, R. Gebauer, and S. Baroni, Phys. Rev. B 88, 064301 (2013)). 2015-03-23 13:31:01 +00:00