oct-convert

Name

oct-convert - Octopus utility to read obj files and write in many different file formats

Description

This executable gives the ability to read files written during the ground-state or time-dependent execution

Example

You can run ground-state and time-dependent execution of the methane example.

Then, we have to add this to the inp file, if we want to have the ground state density in DX format:

 ExperimentalFeatures = yes
 %Output
   density | dx
 %
 ConvertFolder = 'restart/gs'
 ConvertFilename = 'density'
 ConvertIterateFolder = no

The resulting file will appear in ‘restart/gs/density.dx’.

To convert the restart wave-functions (from 1 to 10) of a td run:

 ExperimentalFeatures = yes
 %Output 
   density | dx
 %
 ConvertIterateFolder = no
 ConvertFilename = ' '
 ConvertStart = 1
 ConvertEnd   = 10
 ConvertFolder = 'restart/td/'

If we want to convert the densities of the time-dependent executions, from files td.0000000 to td.0000050 by steps of 50:

 ExperimentalFeatures = yes
 %Output 
   density | dx
 %
 ConvertIterateFolder = yes
 ConvertStart = 0
 ConvertEnd   = 50
 ConvertStep = 50

Note that for this to work, one need to have the density first outputed in the obj format (OutputFormat = binary) during the TD run.

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