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Au.inp
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Activate handling of GTH-SOC PP in Sirius (#4363)
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2025-08-14 15:46:53 +02:00 |
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C-HF-q4-semi.inp
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Format all input files
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2023-12-18 22:41:19 +01:00 |
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C-HF-q4.inp
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Format all input files
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2023-12-18 22:41:19 +01:00 |
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C-rsPBE-q4-num-herm.inp
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Format all input files
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2023-12-18 22:41:19 +01:00 |
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C-rsPBE-q4-num.inp
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Format all input files
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2023-12-18 22:41:19 +01:00 |
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C-rsPBE-q4-semi.inp
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Format all input files
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2023-12-18 22:41:19 +01:00 |
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C.blyp-hgh.UPF
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Atom code: read and process UPF files (norm-conserving, local and
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2016-02-16 10:31:33 +00:00 |
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C.pbe-mt_fhi.UPF
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Atom code: read and process UPF files (norm-conserving, local and
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2016-02-16 10:31:33 +00:00 |
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C_basis1.inp
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Format all input files
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2023-12-18 22:41:19 +01:00 |
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C_basis2.inp
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Format all input files
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2023-12-18 22:41:19 +01:00 |
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C_basis3.inp
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Format all input files
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2023-12-18 22:41:19 +01:00 |
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C_grb.inp
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Format all input files
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2023-12-18 22:41:19 +01:00 |
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C_grb2.inp
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Format all input files
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2023-12-18 22:41:19 +01:00 |
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C_nlcc_1.inp
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Format all input files
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2023-12-18 22:41:19 +01:00 |
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C_nlcc_2.inp
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Format all input files
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2023-12-18 22:41:19 +01:00 |
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C_nlcc_3.inp
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Format all input files
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2023-12-18 22:41:19 +01:00 |
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C_nlcc_4.inp
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Format all input files
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2023-12-18 22:41:19 +01:00 |
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ecp1.inp
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Format all input files
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2023-12-18 22:41:19 +01:00 |
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ecp2.inp
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Format all input files
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2023-12-18 22:41:19 +01:00 |
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ecp3.inp
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Format all input files
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2023-12-18 22:41:19 +01:00 |
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H-B3LYP-q1.inp
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Format all input files
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2023-12-18 22:41:19 +01:00 |
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H-ECPGTH.inp
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PP optimization: Reference can be also a PP (#4635)
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2025-12-27 16:51:21 +01:00 |
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Li_NLCC.inp
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Format all input files
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2023-12-18 22:41:19 +01:00 |
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O-B97-q6.inp
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Format all input files
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2023-12-18 22:41:19 +01:00 |
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O-PBE0-q6.inp
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Format all input files
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2023-12-18 22:41:19 +01:00 |
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O_KG.inp
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Format all input files
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2023-12-18 22:41:19 +01:00 |
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TEST_FILES.toml
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PP optimization: Reference can be also a PP (#4635)
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2025-12-27 16:51:21 +01:00 |
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upf1.inp
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Format all input files
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2023-12-18 22:41:19 +01:00 |
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upf2.inp
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Format all input files
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2023-12-18 22:41:19 +01:00 |
