Commit a883e0c2 authored by pietrodelugas's avatar pietrodelugas

updated references for PH examples

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/[email protected] c92efa57-630b-4861-b058-cf58834340f0
parent 11230927
......@@ -149,7 +149,7 @@ phonons of si at X
prefix='silicon',
amass(1)=28.08,
outdir='$TMP_DIR/',
fildyn='si.dynX',
fildyn='siX.dyn',
/
1.0 0.0 0.0
EOF
......@@ -293,7 +293,7 @@ cat > ni.scf.in << EOF
nspin=2,
starting_magnetization(1)=0.5,
degauss=0.02,
smearing='mp',
smearing='mv',
occupations='smearing',
ecutwfc =27.0
ecutrho =300.0
......@@ -321,7 +321,7 @@ phonons of Ni at X
tr2_ph=1.0d-14,
prefix='nickel',
amass(1)=58.6934,
fildyn='nix.dyn',
fildyn='niX.dyn',
outdir='$TMP_DIR/',
/
0.0 0.0 1.0
......
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Electron-phonon coupling constant, lambda
Broadening 0.0050 lambda 0.2057 dos_el 1.3387
Broadening 0.0100 lambda 0.3844 dos_el 1.8818
Broadening 0.0150 lambda 0.3957 dos_el 2.1232
Broadening 0.0200 lambda 0.3742 dos_el 2.2498
Broadening 0.0250 lambda 0.3545 dos_el 2.3298
Broadening 0.0300 lambda 0.3445 dos_el 2.3960
Broadening 0.0350 lambda 0.3422 dos_el 2.4552
Broadening 0.0400 lambda 0.3442 dos_el 2.5079
Broadening 0.0450 lambda 0.3476 dos_el 2.5530
Broadening 0.0500 lambda 0.3510 dos_el 2.5896
Broadening 0.0050 lambda 0.2189 dos(Ef) 1.3392
Broadening 0.0100 lambda 0.4009 dos(Ef) 1.8818
Broadening 0.0150 lambda 0.4111 dos(Ef) 2.1232
Broadening 0.0200 lambda 0.3887 dos(Ef) 2.2497
Broadening 0.0250 lambda 0.3685 dos(Ef) 2.3298
Broadening 0.0300 lambda 0.3583 dos(Ef) 2.3960
Broadening 0.0350 lambda 0.3562 dos(Ef) 2.4552
Broadening 0.0400 lambda 0.3583 dos(Ef) 2.5079
Broadening 0.0450 lambda 0.3620 dos(Ef) 2.5530
Broadening 0.0500 lambda 0.3654 dos(Ef) 2.5896
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......@@ -103,7 +103,7 @@ Pt
starting_magnetization=0.0,
occupations='smearing',
degauss=0.02,
smearing='mp',
smearing='mv',
ecutwfc =30.0,
ecutrho =250.0,
/
......
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