mirror of https://gitlab.com/QEF/q-e.git
Updated/extended the list of references for citations in TDDFPT
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13002 c92efa57-630b-4861-b058-cf58834340f0
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@ -141,34 +141,30 @@ PROGRAM lr_dav_main
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CONTAINS
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SUBROUTINE lr_print_preamble()
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USE lr_variables, ONLY : no_hxc, d0psi_rs
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USE uspp, ONLY : okvan
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USE funct, only : dft_is_hybrid
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USE lr_variables, ONLY : no_hxc, d0psi_rs
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USE uspp, ONLY : okvan
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USE funct, ONLY : dft_is_hybrid
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USE martyna_tuckerman, ONLY : do_comp_mt
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#if defined(__ENVIRON)
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USE plugin_flags, ONLY : use_environ
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#endif
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IMPLICIT NONE
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! WRITE( stdout, '(/5x,"----------------------------------------")' )
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! WRITE( stdout, '(/5x,"")' )
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! WRITE( stdout, '(/5x,"Please cite this project as: ")' )
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! WRITE( stdout, '(/5x,"O.B. Malcioglu, R. Gebauer, D. Rocca, S. Baroni,")' )
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! WRITE( stdout, '(/5x,"""turboTDDFT – a code for the simulation of molecular")' )
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! WRITE( stdout, '(/5x,"spectra using the Liouville-Lanczos approach to")' )
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! WRITE( stdout, '(/5x,"time-dependent density-functional perturbation theory""")' )
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! WRITE( stdout, '(/5x,"CPC, 182, 1744 (2011)")' )
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! WRITE( stdout, '(/5x,"----------------------------------------")' )
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!
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WRITE( stdout, '(/5x,"----------------------------------------")' )
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WRITE( stdout, '(/5x,"Welcome using turbo-davidson. For this moment you can report bugs to",/5x, &
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& "Xiaochuan Ge: xge@bnl.gov",/5x, &
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& "We appreciate a lot your help to make us improve.",/)' )
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WRITE( stdout, '(/5x,"For the publication using this code, we appreciate if you could cite this article:")')
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WRITE( stdout, '(/15x,"*****************************************")')
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WRITE( stdout, '(/15x,"* Comput. Phys. Commun. 185(2014)2080 *")')
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WRITE( stdout, '(/15x,"*****************************************")')
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WRITE( stdout, '(/5x,"----------------------------------------",/)' )
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WRITE( stdout, '(/5x,"=-----------------------------------------------------------------=")')
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WRITE( stdout, '(/5x,"Please cite the TDDFPT project as:")')
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WRITE( stdout, '(7x,"X. Ge, S. J. Binnie, D. Rocca, R. Gebauer, and S. Baroni,")')
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WRITE( stdout, '(7x,"Comput. Phys. Commun. 185, 2080 (2014)")')
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#if defined(__ENVIRON)
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IF ( use_environ ) THEN
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WRITE( stdout, '(5x,"and the TDDFPT+Environ project as:")' )
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WRITE( stdout, '(7x,"I. Timrov, O. Andreussi, A. Biancardi, N. Marzari, and S. Baroni,")' )
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WRITE( stdout, '(7x,"J. Chem. Phys. 142, 034111 (2015)")' )
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ENDIF
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#endif
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WRITE( stdout, '(5x,"in publications and presentations arising from this work.")' )
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WRITE( stdout, '(/5x,"=-----------------------------------------------------------------=")')
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!
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IF(okvan) WRITE( stdout, '(/5x,"Ultrasoft (Vanderbilt) Pseudopotentials")' )
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IF (do_comp_mt) THEN
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@ -187,6 +183,7 @@ CONTAINS
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& /5x,"commutator is NOT included hence the f-sum rule will be violated.", &
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& /5x,"You can try to use the variable d0psi_rs=.true. (see the documentation).")' )
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ENDIF
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END SUBROUTINE lr_print_preamble
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END PROGRAM lr_dav_main
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@ -308,18 +308,28 @@ SUBROUTINE lr_print_preamble()
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USE funct, ONLY : dft_is_hybrid
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USE martyna_tuckerman, ONLY : do_comp_mt
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USE control_flags, ONLY : do_makov_payne
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#if defined(__ENVIRON)
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USE plugin_flags, ONLY : use_environ
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#endif
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IMPLICIT NONE
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! WRITE( stdout, '(/5x,"----------------------------------------")' )
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! WRITE( stdout, '(/5x,"")' )
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! WRITE( stdout, '(/5x,"Please cite this project as: ")' )
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! WRITE( stdout, '(/5x,"O.B. Malcioglu, R. Gebauer, D. Rocca, S. Baroni,")' )
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! WRITE( stdout, '(/5x,"""turboTDDFT – a code for the simulation of molecular")' )
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! WRITE( stdout, '(/5x,"spectra using the Liouville-Lanczos approach to")' )
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! WRITE( stdout, '(/5x,"time-dependent density-functional perturbation theory""")' )
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! WRITE( stdout, '(/5x,"CPC, 182, 1744 (2011)")' )
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! WRITE( stdout, '(/5x,"----------------------------------------")' )
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!
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WRITE( stdout, '(/5x,"=-----------------------------------------------------------------=")')
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WRITE( stdout, '(/5x,"Please cite the TDDFPT project as:")')
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WRITE( stdout, '(7x,"O. B. Malcioglu, R. Gebauer, D. Rocca, and S. Baroni,")')
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WRITE( stdout, '(7x,"Comput. Phys. Commun. 182, 1744 (2011)")')
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WRITE( stdout, '(5x,"and")' )
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WRITE( stdout, '(7x,"X. Ge, S. J. Binnie, D. Rocca, R. Gebauer, and S. Baroni,")')
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WRITE( stdout, '(7x,"Comput. Phys. Commun. 185, 2080 (2014)")')
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#if defined(__ENVIRON)
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IF ( use_environ ) THEN
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WRITE( stdout, '(5x,"and the TDDFPT+Environ project as:")' )
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WRITE( stdout, '(7x,"I. Timrov, O. Andreussi, A. Biancardi, N. Marzari, and S. Baroni,")' )
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WRITE( stdout, '(7x,"J. Chem. Phys. 142, 034111 (2015)")' )
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ENDIF
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#endif
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WRITE( stdout, '(5x,"in publications and presentations arising from this work.")' )
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WRITE( stdout, '(/5x,"=-----------------------------------------------------------------=")')
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!
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IF (okvan) WRITE( stdout, '(/5x,"Ultrasoft (Vanderbilt) Pseudopotentials")' )
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!
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@ -56,6 +56,7 @@ lr_apply_liouvillian.o : ../../Modules/mp_global.o
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lr_apply_liouvillian.o : ../../Modules/noncol.o
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lr_apply_liouvillian.o : ../../Modules/plugin_flags.o
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lr_apply_liouvillian.o : ../../Modules/recvec.o
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lr_apply_liouvillian.o : ../../Modules/solvent_tddfpt.o
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lr_apply_liouvillian.o : ../../Modules/uspp.o
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lr_apply_liouvillian.o : ../../Modules/wavefunctions.o
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lr_apply_liouvillian.o : ../../PW/src/newd.o
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@ -161,6 +162,7 @@ lr_dav_debug.o : lr_us.o
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lr_dav_debug.o : lr_variables.o
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lr_dav_main.o : ../../Modules/check_stop.o
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lr_dav_main.o : ../../Modules/control_flags.o
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lr_dav_main.o : ../../Modules/environ_info.o
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lr_dav_main.o : ../../Modules/environment.o
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lr_dav_main.o : ../../Modules/funct.o
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lr_dav_main.o : ../../Modules/io_files.o
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@ -326,6 +328,7 @@ lr_lanczos.o : lr_us.o
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lr_lanczos.o : lr_variables.o
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lr_main.o : ../../Modules/check_stop.o
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lr_main.o : ../../Modules/control_flags.o
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lr_main.o : ../../Modules/environ_info.o
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lr_main.o : ../../Modules/environment.o
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lr_main.o : ../../Modules/fft_base.o
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lr_main.o : ../../Modules/funct.o
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@ -403,6 +406,10 @@ lr_readin.o : ../../LR_Modules/lrcom.o
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lr_readin.o : ../../Modules/cell_base.o
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lr_readin.o : ../../Modules/constants.o
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lr_readin.o : ../../Modules/control_flags.o
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lr_readin.o : ../../Modules/environ_init.o
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lr_readin.o : ../../Modules/environ_input.o
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lr_readin.o : ../../Modules/environ_main.o
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lr_readin.o : ../../Modules/environ_mod.o
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lr_readin.o : ../../Modules/fft_base.o
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lr_readin.o : ../../Modules/funct.o
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lr_readin.o : ../../Modules/input_parameters.o
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@ -419,6 +426,7 @@ lr_readin.o : ../../Modules/noncol.o
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lr_readin.o : ../../Modules/paw_variables.o
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lr_readin.o : ../../Modules/plugin_flags.o
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lr_readin.o : ../../Modules/recvec.o
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lr_readin.o : ../../Modules/solvent_tddfpt.o
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lr_readin.o : ../../Modules/uspp.o
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lr_readin.o : ../../Modules/xml_io_base.o
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lr_readin.o : ../../PW/src/esm.o
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@ -547,6 +555,7 @@ lr_write_restart.o : ../../Modules/noncol.o
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lr_write_restart.o : ../../PW/src/pwcom.o
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lr_write_restart.o : lr_charg_resp.o
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lr_write_restart.o : lr_variables.o
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print_clock_lr.o : ../../Modules/environ_info.o
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print_clock_lr.o : ../../Modules/funct.o
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print_clock_lr.o : ../../Modules/io_global.o
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print_clock_lr.o : ../../Modules/mp_world.o
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@ -571,6 +580,7 @@ stop_lr.o : ../../Modules/mp_global.o
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stop_lr.o : ../../Modules/noncol.o
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stop_lr.o : ../../Modules/parallel_include.o
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stop_lr.o : ../../Modules/plugin_flags.o
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stop_lr.o : ../../Modules/solvent_tddfpt.o
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stop_lr.o : ../../PW/src/buffers.o
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stop_lr.o : ../../PW/src/pwcom.o
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stop_lr.o : lr_variables.o
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