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quantum-espresso/PW/examples/example07
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giannozz ff6d238f00 Address for network download of pseudopotentials updated and moved to 
environment_variables


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8999 c92efa57-630b-4861-b058-cf58834340f0
 		2012-05-14 13:10:13 +00:00
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README changes in PW/examples/example07 README and 2012-01-09 14:06:01 +00:00
run_example Address for network download of pseudopotentials updated and moved to 2012-05-14 13:10:13 +00:00
run_xml_example examples deleted, environment_variables moved to main dir, all run_examples changed 2012-02-08 19:11:33 +00:00

README 

This example shows how to use pw.x to calculate the total energy
and the band structure of fcc-Pt with a fully relativistic US-PP
which includes spin-orbit effects.

The calculation proceeds as follows:

1) make a self-consistent calculation for Pt (input=pt.scf.in,
   output=pt.scf.out). 

2) make a band structure calculation for Pt (input=pt.nscf.in,
   output=pt.nscf.out).