mirror of https://gitlab.com/QEF/q-e.git
25 lines
1.1 KiB
Plaintext
25 lines
1.1 KiB
Plaintext
Time Dependent Density Functional Perturbation Theory (TDDFPT)
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Version BETA 1 (02/2010)
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This module uses subroutines from PW and PH along with the general infrasturcture provided by
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Quantum Espresso.
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The directory TDDFPT must reside immediately under the espresso directory for Makefiles to work.
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Standart compilation: Run "make tddfpt" in espresso directory where TDDFPT is a subdirectory
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Directory Structure:
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bin : The tddfpt related binaries
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src : The source files
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Doc : The manual
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Examples : Examples and tests. If you run make under this subdirectory
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a full test is initiated (requires tddfpt to be compiled first).
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You can also perform a shorter test by "make small_test". Each example has its
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own seperate Makefile. Please refer to the README under this subdirectory for
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further information.
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tools : Various tools:
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1) The postprocessing code for calculating absorption spectrum and polarizabilities.
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2) A script to recover reduced liouvillian in a format comprehensible to postprocessing
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code from the stdout.
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