Commit 9d558cea authored by Marco Govoni's avatar Marco Govoni
Browse files
parents a9910d24 a930f4da
Pipeline #261 passed with stages
in 8 minutes and 16 seconds
...@@ -18,6 +18,8 @@ nat = 2, ...@@ -18,6 +18,8 @@ nat = 2,
ntyp = 1, ntyp = 1,
ecutwfc = 30.0, ecutwfc = 30.0,
nbnd = 10 nbnd = 10
noinv = .true.
nosym = .true.
/ /
&ELECTRONS &ELECTRONS
diago_full_acc = .true. diago_full_acc = .true.
...@@ -64,7 +66,8 @@ cat > wfreq.in << EOF ...@@ -64,7 +66,8 @@ cat > wfreq.in << EOF
"n_pdep_eigen_to_use": 10, "n_pdep_eigen_to_use": 10,
"qp_bandrange": [1,5], "qp_bandrange": [1,5],
"n_refreq": 300, "n_refreq": 300,
"ecut_refreq": 2.0 "ecut_refreq": 2.0,
"macropol_calculation" : "C"
} }
} }
EOF EOF
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