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Do not clean needed PP files 

PP files that cannot be downloaded should be listed in pseudo/clean_ps
Also: removal of unused variable
This commit is contained in:
Paolo Giannozzi 2024-03-07 19:33:29 +01:00
parent 7715f6d9cd
commit f04d87a99f
2 changed files with 5 additions and 4 deletions
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3
PHonon/PH/drho.f90
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@ -6,7 +6,6 @@
! or http://www.gnu.org/copyleft/gpl.txt .
!
!-----------------------------------------------------------------------
subroutine drho
!-----------------------------------------------------------------------
!! Here we compute, for each mode the change of the charge density
@ -28,7 +27,7 @@ subroutine drho
USE uspp, ONLY : okvan, nkb
USE wvfct, ONLY : nbnd
USE paw_variables, ONLY : okpaw
USE control_ph, ONLY : ldisp, all_done, rec_code_read
USE control_ph, ONLY : all_done, rec_code_read
USE lrus, ONLY : becp1
USE qpoint, ONLY : nksq

6
pseudo/clean_ps
View File

@ -4,6 +4,7 @@
tobesaved="HUSPBE.RRKJ3 \
O_US.van H_US.van \
C-q4.gth O-q6.gth H-q1.gth \
Rh.pbe-rrkjus_lb.UPF \
Rhs.pbe-rrkjus_lb.UPF \
Si.bhs \
@ -11,17 +12,18 @@ tobesaved="HUSPBE.RRKJ3 \
C.UPF C_3.98148.UPF \
pb_s.UPF \
Si_r.upf \
C-q4.gth O-q6.gth H-q1.gth \
Au_ONCV_PBE_FR_.upf \
Mo-PBE.upf S-PBE.upf \
B-PBE.upf N-PBE.upf Fe.pz-n-nc.UPF "
#
# REASON:
# HUSPBE.RRKJ3, O_US.van, H_US.van, Si.bhs, C.UPF : old formats
# C-q4.gth O-q6.gth H-q1.gth : GTH format
# Au.pz-rrkjus_aewfc.UPF : contains all-electron wavefunctions
# Rh.pbe-rrkjus_lb.UPF, Rhs.pbe-rrkjus_lb.UPF : core-hole PPs
# C_3.98148.UPF : B-C VCA pseudopotential, for slightly B-doped C systems
# pb_s.UPF Si_r.upf : fully relativistic
# C-q4.gth O-q6.gth H-q1.gth : GTH format
# Au_ONCV_PBE_FR_p.upf : fully relativistic, norm-conserving
# Fe.pz-n-nc.UPF : used in test-suite/tddfpt_magnon_fe (should be replaced)
# Mo-PBE.upf S-PBE.upf : norm-conserving for test-suite/epw_2D
# B-PBE.upf N-PBE.upf used in test-suite/ph_2d (should be replaced)