mirror of https://gitlab.com/QEF/q-e.git
054e721960
PAW-related stuff extracted and put into the paw module; various checks moved to more appropriate places; initialization of obsolete variables lloc and lmax moved elsewhere; variable zp moved to uspp_param. All PP-reading subroutines (too many) read zp, not zv; zv is set later. Summary for pseudopotentials unified and purged of printout of obsolete/unused/unset variables. PW/readin.f90 renamed to something more suggestive of what it does (PW/read_pseudo.f90). Module PW/upf_to_internal.f90 moved to Modules/, routine upf2internal removed from CPV/read_pseudo.f90. Harmless error in berry phase + a few bad formats in GIPAW fixed. Dependencies and Makefiles updated. git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3851 c92efa57-630b-4861-b058-cf58834340f0 |
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.. | ||
Makefile | ||
allocate_vdw.f90 | ||
cegterg.f90 | ||
ch_psi_all.f90 | ||
check_v_eff.f90 | ||
dv_of_drho.f90 | ||
dvpsi_e.f90 | ||
eff_pot.f90 | ||
h_psiq.f90 | ||
incdrhoscf.f90 | ||
make.depend | ||
pbcg_psi.f90 | ||
polariz.f90 | ||
print_clock_vdw.f90 | ||
solve_e.f90 | ||
start_vdw.f90 | ||
stop_vdw.f90 | ||
vdw.f90 | ||
vdwcom.f90 |