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go back to [[Main Page]], [[Group Pages]], [[Núria López and Group]], [[Scripts_for_VASP]], [[Computational Resources]], [[EXAFS]] | go back to [[Main Page]], [[Group Pages]], [[Núria López and Group]], [[Scripts_for_VASP]], [[Computational Resources]], [[EXAFS]] | ||
Program '''feff8l''' is part of the simulation of EXAFS spectra. The input files, '''feff.inp''', can be generated from *cif files in this webpage http://millenia.cars.aps.anl.gov/webatoms/. The output can be analyzed with [[EXAFS|Athena]]. | Program '''feff8l''' is part of the simulation of [[EXAFS]] spectra. The input files, '''feff.inp''', can be generated from *cif files in this webpage http://millenia.cars.aps.anl.gov/webatoms/. The output can be analyzed with [[EXAFS|Athena]]. | ||
==Instalation Procedure 1== | ==Instalation Procedure 1== | ||
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* Follow the instructions contained in the INSTALL.md file. Mind that you may need some libraries. | * Follow the instructions contained in the INSTALL.md file. Mind that you may need some libraries. | ||
* Go back to [[EXAFS|this page]] to check that the program is working well. | * Go back to [[EXAFS|this page]] and do '''Pre-processing''' and '''Processing''' to check that the program is working well. | ||
==Instalation Procedure 2== | ==Instalation Procedure 2== | ||
* Download this [[Image:feff85exafs-master.tgz]] | * Download this [[Image:feff85exafs-master.tgz]]. It is an old version of Procedure 1 that is already compiled. | ||
* | * Instead of following INSTALL.md instructions, you only need to run this: | ||
sudo cp -pr local_install/bin/* /usr/local/bin/. | sudo cp -pr local_install/bin/* /usr/local/bin/. | ||
sudo cp -pr local_install/lib/* /usr/local/lib/. | sudo cp -pr local_install/lib/* /usr/local/lib/. | ||
sudo cp -pr local_install/include/* /usr/local/include/. | sudo cp -pr local_install/include/* /usr/local/include/. | ||
* Go back to [[EXAFS|this page]] to check that the program is working well. | * Go back to [[EXAFS|this page]] and do '''Pre-processing''' and '''Processing''' to check that the program is working well. | ||
==Still not working?== | |||
If you are wasting time with an unsucessfull instalation, you can use a special account Rodrigo created for everybody: | |||
$ ssh exafs@10.0.7.25 # Ask Rodrigo for the password. | |||
$ cd ~/feff85exafs-master/tests/youruser # Ask Rodrigo to create you an username | |||
* Go back to [[EXAFS|this page]] and do '''Pre-processing''' and '''Processing''' to check that the program is working well. | |||
Latest revision as of 13:41, 28 February 2019
go back to Main Page, Group Pages, Núria López and Group, Scripts_for_VASP, Computational Resources, EXAFS
Program feff8l is part of the simulation of EXAFS spectra. The input files, feff.inp, can be generated from *cif files in this webpage http://millenia.cars.aps.anl.gov/webatoms/. The output can be analyzed with Athena.
Instalation Procedure 1[edit]
- Go to the feff8l git: https://github.com/xraypy/feff85exafs
- Follow the instructions contained in the INSTALL.md file. Mind that you may need some libraries.
- Go back to this page and do Pre-processing and Processing to check that the program is working well.
Instalation Procedure 2[edit]
- Download this File:Feff85exafs-master.tgz. It is an old version of Procedure 1 that is already compiled.
- Instead of following INSTALL.md instructions, you only need to run this:
sudo cp -pr local_install/bin/* /usr/local/bin/. sudo cp -pr local_install/lib/* /usr/local/lib/. sudo cp -pr local_install/include/* /usr/local/include/.
- Go back to this page and do Pre-processing and Processing to check that the program is working well.
Still not working?[edit]
If you are wasting time with an unsucessfull instalation, you can use a special account Rodrigo created for everybody:
$ ssh exafs@10.0.7.25 # Ask Rodrigo for the password. $ cd ~/feff85exafs-master/tests/youruser # Ask Rodrigo to create you an username * Go back to this page and do Pre-processing and Processing to check that the program is working well.