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The pleasure of DFT, SIESTA, DFT, Solid State simulations... all out of my wicked mind
Friday, June 06, 2008
No Kylie, No
PWSCF
$PW_COMMAND < si.scf.in > si.scf.out
$PW_COMMAND < si.band.in > si.band.out
$PLOTBAND_COMMAND < si.plotband.in > si.plotband.out
(plotband.x)
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