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espresso_5.0.orig-PHonon.tar.gz

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/PHonon/examples/GRID_example/README

This example shows how to use ph.x on a GRID. The GRID phonon parallelization
allows to split a phonon calculation into relatively small jobs, each
runing a subset of linear-response calculations for a small number of
wave-vectors or irreps or compbinations. The jobs can then be run
independently and the final results collected. Documentation is available
here: :Calculation of Phonon Dispersions o
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/PHonon/examples/README

These are instructions on how to run the examples for PHonon package.
These examples try to exercise all the programs and features 
of the PHonon package. 
If you find that any relevant feature isn't being tested, 
please contact us (or even better, write and send us a new example).

To run the examples, you should follow this procedure:

1) Edit the "environment_variables" file from the main 
   
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/PHonon/examples/Recover_example/README

This example tests the recover feature of ph.x 

The calculation proceeds as follows:

1) make a self-consistent calculation for norm conserving Si 
   (input=si.scf.in, output=si.scf.out).

2) make a phonon calculation at the Gamma point and stop it after 3
   seconds (input=si.phG.in1, output=si.phG.out1).

3) make a phonon calculation at the Gamma point and recover the previous
   run (input=si
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/PHonon/examples/example01/README

This example illustrates how to use pw.x and ph.x to calculate phonon
frequencies at Gamma and X fo
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/PHonon/examples/example02/README

This example illustrates how to calculate interatomic force 
constants (IFC) in real space for AlAs
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/PHonon/examples/example03/README

This example illustrates how to calculate electron-phonon interaction
coefficients, for a (444) Mon
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/PHonon/examples/example04/README

This example shows how to use pw.x and ph.x to calculate the normal modes 
of a molecule (CH4). 

1
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/PHonon/examples/example05/README

Example for calculating the Raman tensor

This example shows how to calculate the nonlinear suscepti
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