abinit

History

trunk 976fb19b16 Shorten directory name from Tutorial-NLO to TutoNLO, because of too long names with tar gz in distcheck .		2024-12-23 14:15:39 +01:00
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PART0-STRUC	Shorten directory name from Tutorial-NLO to TutoNLO, because of too long names with tar gz in distcheck .	2024-12-23 14:15:39 +01:00
PART1-DFPT	Shorten directory name from Tutorial-NLO to TutoNLO, because of too long names with tar gz in distcheck .	2024-12-23 14:15:39 +01:00
PART2-BERRY	Shorten directory name from Tutorial-NLO to TutoNLO, because of too long names with tar gz in distcheck .	2024-12-23 14:15:39 +01:00
PART3-EFIELD	Shorten directory name from Tutorial-NLO to TutoNLO, because of too long names with tar gz in distcheck .	2024-12-23 14:15:39 +01:00
README	Shorten directory name from Tutorial-NLO to TutoNLO, because of too long names with tar gz in distcheck .	2024-12-23 14:15:39 +01:00
summary_NLO.txt	Shorten directory name from Tutorial-NLO to TutoNLO, because of too long names with tar gz in distcheck .	2024-12-23 14:15:39 +01:00

README

TUTORIAL ON LINEAR AND NON-LINEAR RESPONSES TO ELECTRIC FIELDS

Summary_NLO.txt
summary of the results obtained for various properties using either
response function or finite difference techniques.

PART0-STRUCT
structural optimization of AlAs to be used all along the tutorial
(i.e. recomputed with the convergence parameters of the tutorial)

PART1-DFPT
Linear and non-linear responses of AlAs to electric field and
atomic displacements using DFPT.

PART2-BERRY
Berry phase calculation under zero field to get different linear
and non-linear responses from finite differences

PART3-EFIELD
Finite electric field calculation using the method of Souza and
Vanderbilt, to get different linear and non-linear responses
from finite differences.