diff --git a/HP/Doc/INPUT_HP.html b/HP/Doc/INPUT_HP.html index f73d8198d..363beb8b3 100644 --- a/HP/Doc/INPUT_HP.html +++ b/HP/Doc/INPUT_HP.html @@ -46,7 +46,7 @@

Input File Description

Program: - hp.x / PWscf / Quantum Espresso (version: 6.6) + hp.x / PWscf / Quantum Espresso (version: 7.0)

@@ -58,7 +58,7 @@

INTRODUCTION

&INPUTHP

-prefix | outdir | iverbosity | max_seconds | nq1 | nq2 | nq3 | skip_equivalence_q | determine_num_pert_only | find_atpert | docc_thr | skip_type | equiv_type | perturb_only_atom | start_q | last_q | sum_pertq | compute_hp | conv_thr_chi | thresh_init | ethr_nscf | niter_max | alpha_mix(i) | nmix | num_neigh | lmin | rmax +prefix | outdir | iverbosity | max_seconds | nq1 | nq2 | nq3 | skip_equivalence_q | determine_num_pert_only | find_atpert | docc_thr | skip_type | equiv_type | perturb_only_atom | start_q | last_q | sum_pertq | compute_hp | conv_thr_chi | thresh_init | ethr_nscf | niter_max | alpha_mix(i) | nmix | num_neigh | lmin | rmax | dist_thr
@@ -590,13 +590,30 @@ lda_plus_u_kind = 2). This keyword is useful when there are e.g. defects in the system. +
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+ + + + + + + + + + +
dist_thrREAL
Default: 6.D-4 +
+Threshold (in Bohr) for comparing inter-atomic distances
+when reconstructing the missing elements of the response
+susceptibility in the post-processing step.
+         
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- This file has been created by helpdoc utility on Fri Jul 16 12:02:14 CEST 2021. + This file has been created by helpdoc utility on Sat Dec 18 20:08:38 CET 2021. diff --git a/HP/Doc/INPUT_HP.txt b/HP/Doc/INPUT_HP.txt index ad5ef63af..3a8724be0 100644 --- a/HP/Doc/INPUT_HP.txt +++ b/HP/Doc/INPUT_HP.txt @@ -3,7 +3,7 @@ ------------------------------------------------------------------------ INPUT FILE DESCRIPTION -Program: hp.x / PWscf / Quantum Espresso (version: 6.6) +Program: hp.x / PWscf / Quantum Espresso (version: 7.0) ------------------------------------------------------------------------ @@ -326,7 +326,17 @@ NAMELIST: &INPUTHP are e.g. defects in the system. +-------------------------------------------------------------------- + +-------------------------------------------------------------------- + Variable: dist_thr + + Type: REAL + Default: 6.D-4 + Description: Threshold (in Bohr) for comparing inter-atomic distances + when reconstructing the missing elements of the response + susceptibility in the post-processing step. + +-------------------------------------------------------------------- + ===END OF NAMELIST====================================================== -This file has been created by helpdoc utility on Fri Jul 16 12:02:14 CEST 2021 +This file has been created by helpdoc utility on Sat Dec 18 20:08:38 CET 2021 diff --git a/HP/Doc/INPUT_HP.xml b/HP/Doc/INPUT_HP.xml index d665839c2..50bb535ca 100644 --- a/HP/Doc/INPUT_HP.xml +++ b/HP/Doc/INPUT_HP.xml @@ -311,5 +311,14 @@ lda_plus_u_kind = 2). This keyword is useful when there are e.g. defects in the system. + + 6.D-4 + + +Threshold (in Bohr) for comparing inter-atomic distances +when reconstructing the missing elements of the response +susceptibility in the post-processing step. + +