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quantum-espresso/PP/examples/fermisurf_example
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giannozz 63e02d8760 Option "-in file" for fermi_proj.x and fermi_velocity.x was not working in 
serial execution. Added comment explaining that mp_startup reads the command 
line. Example fermisurfer_example/ was cited in the doc but was missing.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13986 c92efa57-630b-4861-b058-cf58834340f0
 		2017-11-10 15:05:24 +00:00
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reference Option "-in file" for fermi_proj.x and fermi_velocity.x was not working in 2017-11-10 15:05:24 +00:00
README Option "-in file" for fermi_proj.x and fermi_velocity.x was not working in 2017-11-10 15:05:24 +00:00
run_example Option "-in file" for fermi_proj.x and fermi_velocity.x was not working in 2017-11-10 15:05:24 +00:00

README 

This example shows how to generate color ploted Fermi surfaces 
(the Fermi velocity and the orbital character) of MgB2.

The calculation proceeds as follows (for the meaning of the cited input
variables see the appropriate INPUT_* file)

1) Make a self-consistent calculation for MgB2.

2a) Run fermi_velocity.x in mgb2.save/ directry to generate vfermi.frmsf
   which is used to display Fermi surfaces with a color plot of the Fermi velocity

2b-1) Run projwfc.x to generate atomic-proj.xml file 
   which contains projection of each Kohn-Sham orbitals to the atomic orbital.

2b-2) Run pfermi.x in mgb2.save/ directry to generate proj.frmsf
   which is used to display Fermi surfaces with a color plot of the orbital character.

3) Written files *.frmsf can be read by the FermiSurfer which is released in 
   http://osdn.jp/projects/fermisurfer/. You can launch it as follows:
   
   $ fermisurfer vfermi.frmsf
   $ fermisurfer mg3s3p.frmsf
   $ fermisurfer b2s.frmsf
   $ fermisurfer b2pz.frmsf
   $ fermisurfer b2px.frmsf
   $ fermisurfer b2py.frmsf