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Contents
Contents
T
HERMO
_
PW
User's Guide
(v.2.0.0)
Andrea Dal Corso (SISSA - Trieste)
Contents
1. Introduction
1.1 People
2. Installing, Compiling, and Running
2.1 Installing
2.2 Compiling
2.3 Searching help and reporting bugs
2.4 Uninstalling
2.5 Running T
HERMO
_
PW
3. Input variables
3.1 Temperature and pressure
3.2 Coordinates and structure
3.3 what='scf'
3.4 what='scf_ke'
3.5 what='scf_nk'
3.6 what='scf_bands'
3.7 what='scf_2d_bands'
3.8 what='scf_dos'
3.9 what='plot_bz'
3.10 what='scf_ph'
3.11 what='scf_disp'
3.12 what='scf_elastic_constants'
3.13 what='mur_lc'
3.14 what='mur_lc_bands'
3.15 what='mur_lc_dos'
3.16 what='mur_lc_ph'
3.17 what='mur_lc_disp'
3.18 what='mur_lc_elastic_constants'
3.19 what='mur_lc_t'
3.20 what='elastic_constants_geo'
4. Restarting an interrupted run
5. Thermo_pw on the GPU
6. Tools
7. Examples, examples_qe, inputs, pseudo_test, space_groups,
tools_inputs
8. Color codes
9. Documentation
About this document ...
2024-09-24
