mirror of https://gitlab.com/QEF/q-e.git
15 lines
702 B
Plaintext
15 lines
702 B
Plaintext
This directory contains a few examples of pseudo-potentials tests.
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The outputs are in the directory "reference/". Input data:
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s.in Test a NC pseudo-potential (old format)
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ni.in Test a US pseudo-potential pseudotype=3 (old format)
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rh.in Test a US pseudo-potentials with NLCC (UPF format)
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al.in Test a NC pseudo-potential pseudotype=1 (old format)
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ga.in Test a NC relativistic pseudo-potential pseudotype=1
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as.in Test a NC relativistic pseudo-potential (UPF format)
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The script test.job runs ld1.x on these examples, writes the outputs
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into directory "results/", compares them with reference outputs and
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writes the differences between these files into file "difference".
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