quantum-espresso/test-suite/hp_metal_paw_magn/benchmark.out.git.inp=Fe.hp...

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Plaintext

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Hubbard U parameters:
site n. type label spin new_type new_label Hubbard U (eV)
1 1 Fe 1 1 Fe 3.5064
2 1 Fe 1 1 Fe 3.5064
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chi0 matrix :
-0.711057 0.019378 0.035212 0.019378 0.035212 0.019378 0.069505 0.019378
0.035212 0.019378 0.069505 0.019378 0.069505 0.019378 0.191510 0.019378
0.019378 -0.711057 0.019378 0.035212 0.019378 0.035212 0.019378 0.069505
0.019378 0.035212 0.019378 0.069505 0.019378 0.069505 0.019378 0.191510
0.035212 0.019378 -0.711057 0.019378 0.069505 0.019378 0.035212 0.019378
0.069505 0.019378 0.035212 0.019378 0.191510 0.019378 0.069505 0.019378
0.019378 0.035212 0.019378 -0.711057 0.019378 0.069505 0.019378 0.035212
0.019378 0.069505 0.019378 0.035212 0.019378 0.191510 0.019378 0.069505
0.035212 0.019378 0.069505 0.019378 -0.711057 0.019378 0.035212 0.019378
0.069505 0.019378 0.191510 0.019378 0.035212 0.019378 0.069505 0.019378
0.019378 0.035212 0.019378 0.069505 0.019378 -0.711057 0.019378 0.035212
0.019378 0.069505 0.019378 0.191510 0.019378 0.035212 0.019378 0.069505
0.069505 0.019378 0.035212 0.019378 0.035212 0.019378 -0.711057 0.019378
0.191510 0.019378 0.069505 0.019378 0.069505 0.019378 0.035212 0.019378
0.019378 0.069505 0.019378 0.035212 0.019378 0.035212 0.019378 -0.711057
0.019378 0.191510 0.019378 0.069505 0.019378 0.069505 0.019378 0.035212
0.035212 0.019378 0.069505 0.019378 0.069505 0.019378 0.191510 0.019378
-0.711057 0.019378 0.035212 0.019378 0.035212 0.019378 0.069505 0.019378
0.019378 0.035212 0.019378 0.069505 0.019378 0.069505 0.019378 0.191510
0.019378 -0.711057 0.019378 0.035212 0.019378 0.035212 0.019378 0.069505
0.069505 0.019378 0.035212 0.019378 0.191510 0.019378 0.069505 0.019378
0.035212 0.019378 -0.711057 0.019378 0.069505 0.019378 0.035212 0.019378
0.019378 0.069505 0.019378 0.035212 0.019378 0.191510 0.019378 0.069505
0.019378 0.035212 0.019378 -0.711057 0.019378 0.069505 0.019378 0.035212
0.069505 0.019378 0.191510 0.019378 0.035212 0.019378 0.069505 0.019378
0.035212 0.019378 0.069505 0.019378 -0.711057 0.019378 0.035212 0.019378
0.019378 0.069505 0.019378 0.191510 0.019378 0.035212 0.019378 0.069505
0.019378 0.035212 0.019378 0.069505 0.019378 -0.711057 0.019378 0.035212
0.191510 0.019378 0.069505 0.019378 0.069505 0.019378 0.035212 0.019378
0.069505 0.019378 0.035212 0.019378 0.035212 0.019378 -0.711057 0.019378
0.019378 0.191510 0.019378 0.069505 0.019378 0.069505 0.019378 0.035212
0.019378 0.069505 0.019378 0.035212 0.019378 0.035212 0.019378 -0.711057
chi matrix :
-0.197807 0.007188 0.024141 0.007188 0.024141 0.007188 0.011712 0.007188
0.024141 0.007188 0.011712 0.007188 0.011712 0.007188 -0.010471 0.007188
0.007188 -0.197807 0.007188 0.024141 0.007188 0.024141 0.007188 0.011712
0.007188 0.024141 0.007188 0.011712 0.007188 0.011712 0.007188 -0.010471
0.024141 0.007188 -0.197807 0.007188 0.011712 0.007188 0.024141 0.007188
0.011712 0.007188 0.024141 0.007188 -0.010471 0.007188 0.011712 0.007188
0.007188 0.024141 0.007188 -0.197807 0.007188 0.011712 0.007188 0.024141
0.007188 0.011712 0.007188 0.024141 0.007188 -0.010471 0.007188 0.011712
0.024141 0.007188 0.011712 0.007188 -0.197807 0.007188 0.024141 0.007188
0.011712 0.007188 -0.010471 0.007188 0.024141 0.007188 0.011712 0.007188
0.007188 0.024141 0.007188 0.011712 0.007188 -0.197807 0.007188 0.024141
0.007188 0.011712 0.007188 -0.010471 0.007188 0.024141 0.007188 0.011712
0.011712 0.007188 0.024141 0.007188 0.024141 0.007188 -0.197807 0.007188
-0.010471 0.007188 0.011712 0.007188 0.011712 0.007188 0.024141 0.007188
0.007188 0.011712 0.007188 0.024141 0.007188 0.024141 0.007188 -0.197807
0.007188 -0.010471 0.007188 0.011712 0.007188 0.011712 0.007188 0.024141
0.024141 0.007188 0.011712 0.007188 0.011712 0.007188 -0.010471 0.007188
-0.197807 0.007188 0.024141 0.007188 0.024141 0.007188 0.011712 0.007188
0.007188 0.024141 0.007188 0.011712 0.007188 0.011712 0.007188 -0.010471
0.007188 -0.197807 0.007188 0.024141 0.007188 0.024141 0.007188 0.011712
0.011712 0.007188 0.024141 0.007188 -0.010471 0.007188 0.011712 0.007188
0.024141 0.007188 -0.197807 0.007188 0.011712 0.007188 0.024141 0.007188
0.007188 0.011712 0.007188 0.024141 0.007188 -0.010471 0.007188 0.011712
0.007188 0.024141 0.007188 -0.197807 0.007188 0.011712 0.007188 0.024141
0.011712 0.007188 -0.010471 0.007188 0.024141 0.007188 0.011712 0.007188
0.024141 0.007188 0.011712 0.007188 -0.197807 0.007188 0.024141 0.007188
0.007188 0.011712 0.007188 -0.010471 0.007188 0.024141 0.007188 0.011712
0.007188 0.024141 0.007188 0.011712 0.007188 -0.197807 0.007188 0.024141
-0.010471 0.007188 0.011712 0.007188 0.011712 0.007188 0.024141 0.007188
0.011712 0.007188 0.024141 0.007188 0.024141 0.007188 -0.197807 0.007188
0.007188 -0.010471 0.007188 0.011712 0.007188 0.011712 0.007188 0.024141
0.007188 0.011712 0.007188 0.024141 0.007188 0.024141 0.007188 -0.197807
chi0^{-1} matrix :
-2.571426 -1.067313 -1.191012 -1.067313 -1.191012 -1.067313 -1.236786 -1.067313
-1.191012 -1.067313 -1.236786 -1.067313 -1.236786 -1.067313 -1.458258 -1.067313
-1.067313 -2.571426 -1.067313 -1.191012 -1.067313 -1.191012 -1.067313 -1.236786
-1.067313 -1.191012 -1.067313 -1.236786 -1.067313 -1.236786 -1.067313 -1.458258
-1.191012 -1.067313 -2.571426 -1.067313 -1.236786 -1.067313 -1.191012 -1.067313
-1.236786 -1.067313 -1.191012 -1.067313 -1.458258 -1.067313 -1.236786 -1.067313
-1.067313 -1.191012 -1.067313 -2.571426 -1.067313 -1.236786 -1.067313 -1.191012
-1.067313 -1.236786 -1.067313 -1.191012 -1.067313 -1.458258 -1.067313 -1.236786
-1.191012 -1.067313 -1.236786 -1.067313 -2.571426 -1.067313 -1.191012 -1.067313
-1.236786 -1.067313 -1.458258 -1.067313 -1.191012 -1.067313 -1.236786 -1.067313
-1.067313 -1.191012 -1.067313 -1.236786 -1.067313 -2.571426 -1.067313 -1.191012
-1.067313 -1.236786 -1.067313 -1.458258 -1.067313 -1.191012 -1.067313 -1.236786
-1.236786 -1.067313 -1.191012 -1.067313 -1.191012 -1.067313 -2.571426 -1.067313
-1.458258 -1.067313 -1.236786 -1.067313 -1.236786 -1.067313 -1.191012 -1.067313
-1.067313 -1.236786 -1.067313 -1.191012 -1.067313 -1.191012 -1.067313 -2.571426
-1.067313 -1.458258 -1.067313 -1.236786 -1.067313 -1.236786 -1.067313 -1.191012
-1.191012 -1.067313 -1.236786 -1.067313 -1.236786 -1.067313 -1.458258 -1.067313
-2.571426 -1.067313 -1.191012 -1.067313 -1.191012 -1.067313 -1.236786 -1.067313
-1.067313 -1.191012 -1.067313 -1.236786 -1.067313 -1.236786 -1.067313 -1.458258
-1.067313 -2.571426 -1.067313 -1.191012 -1.067313 -1.191012 -1.067313 -1.236786
-1.236786 -1.067313 -1.191012 -1.067313 -1.458258 -1.067313 -1.236786 -1.067313
-1.191012 -1.067313 -2.571426 -1.067313 -1.236786 -1.067313 -1.191012 -1.067313
-1.067313 -1.236786 -1.067313 -1.191012 -1.067313 -1.458258 -1.067313 -1.236786
-1.067313 -1.191012 -1.067313 -2.571426 -1.067313 -1.236786 -1.067313 -1.191012
-1.236786 -1.067313 -1.458258 -1.067313 -1.191012 -1.067313 -1.236786 -1.067313
-1.191012 -1.067313 -1.236786 -1.067313 -2.571426 -1.067313 -1.191012 -1.067313
-1.067313 -1.236786 -1.067313 -1.458258 -1.067313 -1.191012 -1.067313 -1.236786
-1.067313 -1.191012 -1.067313 -1.236786 -1.067313 -2.571426 -1.067313 -1.191012
-1.458258 -1.067313 -1.236786 -1.067313 -1.236786 -1.067313 -1.191012 -1.067313
-1.236786 -1.067313 -1.191012 -1.067313 -1.191012 -1.067313 -2.571426 -1.067313
-1.067313 -1.458258 -1.067313 -1.236786 -1.067313 -1.236786 -1.067313 -1.191012
-1.067313 -1.236786 -1.067313 -1.191012 -1.067313 -1.191012 -1.067313 -2.571426
chi^{-1} matrix :
-6.077835 -1.051302 -1.487452 -1.051302 -1.487452 -1.051302 -1.171101 -1.051302
-1.487452 -1.051302 -1.171101 -1.051302 -1.171101 -1.051302 -0.676886 -1.051302
-1.051302 -6.077835 -1.051302 -1.487452 -1.051302 -1.487452 -1.051302 -1.171101
-1.051302 -1.487452 -1.051302 -1.171101 -1.051302 -1.171101 -1.051302 -0.676886
-1.487452 -1.051302 -6.077835 -1.051302 -1.171101 -1.051302 -1.487452 -1.051302
-1.171101 -1.051302 -1.487452 -1.051302 -0.676886 -1.051302 -1.171101 -1.051302
-1.051302 -1.487452 -1.051302 -6.077835 -1.051302 -1.171101 -1.051302 -1.487452
-1.051302 -1.171101 -1.051302 -1.487452 -1.051302 -0.676886 -1.051302 -1.171101
-1.487452 -1.051302 -1.171101 -1.051302 -6.077835 -1.051302 -1.487452 -1.051302
-1.171101 -1.051302 -0.676886 -1.051302 -1.487452 -1.051302 -1.171101 -1.051302
-1.051302 -1.487452 -1.051302 -1.171101 -1.051302 -6.077835 -1.051302 -1.487452
-1.051302 -1.171101 -1.051302 -0.676886 -1.051302 -1.487452 -1.051302 -1.171101
-1.171101 -1.051302 -1.487452 -1.051302 -1.487452 -1.051302 -6.077835 -1.051302
-0.676886 -1.051302 -1.171101 -1.051302 -1.171101 -1.051302 -1.487452 -1.051302
-1.051302 -1.171101 -1.051302 -1.487452 -1.051302 -1.487452 -1.051302 -6.077835
-1.051302 -0.676886 -1.051302 -1.171101 -1.051302 -1.171101 -1.051302 -1.487452
-1.487452 -1.051302 -1.171101 -1.051302 -1.171101 -1.051302 -0.676886 -1.051302
-6.077835 -1.051302 -1.487452 -1.051302 -1.487452 -1.051302 -1.171101 -1.051302
-1.051302 -1.487452 -1.051302 -1.171101 -1.051302 -1.171101 -1.051302 -0.676886
-1.051302 -6.077835 -1.051302 -1.487452 -1.051302 -1.487452 -1.051302 -1.171101
-1.171101 -1.051302 -1.487452 -1.051302 -0.676886 -1.051302 -1.171101 -1.051302
-1.487452 -1.051302 -6.077835 -1.051302 -1.171101 -1.051302 -1.487452 -1.051302
-1.051302 -1.171101 -1.051302 -1.487452 -1.051302 -0.676886 -1.051302 -1.171101
-1.051302 -1.487452 -1.051302 -6.077835 -1.051302 -1.171101 -1.051302 -1.487452
-1.171101 -1.051302 -0.676886 -1.051302 -1.487452 -1.051302 -1.171101 -1.051302
-1.487452 -1.051302 -1.171101 -1.051302 -6.077835 -1.051302 -1.487452 -1.051302
-1.051302 -1.171101 -1.051302 -0.676886 -1.051302 -1.487452 -1.051302 -1.171101
-1.051302 -1.487452 -1.051302 -1.171101 -1.051302 -6.077835 -1.051302 -1.487452
-0.676886 -1.051302 -1.171101 -1.051302 -1.171101 -1.051302 -1.487452 -1.051302
-1.171101 -1.051302 -1.487452 -1.051302 -1.487452 -1.051302 -6.077835 -1.051302
-1.051302 -0.676886 -1.051302 -1.171101 -1.051302 -1.171101 -1.051302 -1.487452
-1.051302 -1.171101 -1.051302 -1.487452 -1.051302 -1.487452 -1.051302 -6.077835
Hubbard matrix :
3.506408 -0.016011 0.296439 -0.016011 0.296439 -0.016011 -0.065684 -0.016011
0.296439 -0.016011 -0.065684 -0.016011 -0.065684 -0.016011 -0.781372 -0.016011
-0.016011 3.506408 -0.016011 0.296439 -0.016011 0.296439 -0.016011 -0.065684
-0.016011 0.296439 -0.016011 -0.065684 -0.016011 -0.065684 -0.016011 -0.781372
0.296439 -0.016011 3.506408 -0.016011 -0.065684 -0.016011 0.296439 -0.016011
-0.065684 -0.016011 0.296439 -0.016011 -0.781372 -0.016011 -0.065684 -0.016011
-0.016011 0.296439 -0.016011 3.506408 -0.016011 -0.065684 -0.016011 0.296439
-0.016011 -0.065684 -0.016011 0.296439 -0.016011 -0.781372 -0.016011 -0.065684
0.296439 -0.016011 -0.065684 -0.016011 3.506408 -0.016011 0.296439 -0.016011
-0.065684 -0.016011 -0.781372 -0.016011 0.296439 -0.016011 -0.065684 -0.016011
-0.016011 0.296439 -0.016011 -0.065684 -0.016011 3.506408 -0.016011 0.296439
-0.016011 -0.065684 -0.016011 -0.781372 -0.016011 0.296439 -0.016011 -0.065684
-0.065684 -0.016011 0.296439 -0.016011 0.296439 -0.016011 3.506408 -0.016011
-0.781372 -0.016011 -0.065684 -0.016011 -0.065684 -0.016011 0.296439 -0.016011
-0.016011 -0.065684 -0.016011 0.296439 -0.016011 0.296439 -0.016011 3.506408
-0.016011 -0.781372 -0.016011 -0.065684 -0.016011 -0.065684 -0.016011 0.296439
0.296439 -0.016011 -0.065684 -0.016011 -0.065684 -0.016011 -0.781372 -0.016011
3.506408 -0.016011 0.296439 -0.016011 0.296439 -0.016011 -0.065684 -0.016011
-0.016011 0.296439 -0.016011 -0.065684 -0.016011 -0.065684 -0.016011 -0.781372
-0.016011 3.506408 -0.016011 0.296439 -0.016011 0.296439 -0.016011 -0.065684
-0.065684 -0.016011 0.296439 -0.016011 -0.781372 -0.016011 -0.065684 -0.016011
0.296439 -0.016011 3.506408 -0.016011 -0.065684 -0.016011 0.296439 -0.016011
-0.016011 -0.065684 -0.016011 0.296439 -0.016011 -0.781372 -0.016011 -0.065684
-0.016011 0.296439 -0.016011 3.506408 -0.016011 -0.065684 -0.016011 0.296439
-0.065684 -0.016011 -0.781372 -0.016011 0.296439 -0.016011 -0.065684 -0.016011
0.296439 -0.016011 -0.065684 -0.016011 3.506408 -0.016011 0.296439 -0.016011
-0.016011 -0.065684 -0.016011 -0.781372 -0.016011 0.296439 -0.016011 -0.065684
-0.016011 0.296439 -0.016011 -0.065684 -0.016011 3.506408 -0.016011 0.296439
-0.781372 -0.016011 -0.065684 -0.016011 -0.065684 -0.016011 0.296439 -0.016011
-0.065684 -0.016011 0.296439 -0.016011 0.296439 -0.016011 3.506408 -0.016011
-0.016011 -0.781372 -0.016011 -0.065684 -0.016011 -0.065684 -0.016011 0.296439
-0.016011 -0.065684 -0.016011 0.296439 -0.016011 0.296439 -0.016011 3.506408