quantum-espresso/TDDFPT/tools
Iurii Timrov a0ae1121eb Modifications in TDDFPT and HP modules:
1) Remove PP files from examples of TDDFPT, use an automatic
download of PPs from the QE web site;
2) TDDFPT examples are now in the standard format of QE
(using run_example scripts);
3) Fix the bug in TDDFPT+EXX due to recent changes in PW (fft_fact);
4) The ecutfock parameter in TDDFPT+EXX is now read from XML and
cannot be specified from the input of TDDFPT;
5) In TDDFPT the oscillator strength (absorption coefficient)
is now written in a separate file (and not in the same file
where \chi is written);
6) HP examples use PPs from the Pslibrary by an automatic
download from the QE website.
2018-09-07 16:26:46 +02:00
..
Makefile More Makefile cleanup: targets pwlibs, phlibs added in order to avoid much 2018-08-21 17:14:04 +02:00
tddfpt_calculate_spectrum.f90 Modifications in TDDFPT and HP modules: 2018-09-07 16:26:46 +02:00
tddfpt_regen_bgz.tcl Some more fine tune 2010-04-09 14:16:03 +00:00