PHONOPY-QHA(1)

👑 NAME 👑

phonopy-qha</p> — bestie, this is the manual page for phonopy-qha 2.48.0 💖 like it literally says so in the name, no cap.

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✨ DESCRIPTION ✨

okay so here's the whole vibe. this is the Phonopy-QHA command-line tool, and the way you call it is exactly this:

usage: phonopy-qha [-h] [-b] [--eos EOS] [--exclude_imaginary] [-p]
       [--pressure PRESSURE] [--efe EFE_FILE] [-s] [--sparse
       THIN_NUMBER] [--tmax TMAX] [filenames ...]

that's it, that's the summoning ritual 🕯️✨

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🌸 positional arguments 🌸

• filenames — the filenames of e-v.dat and the thermal_properties.yaml's 🫶 hand them over, she knows what to do with them.

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💅 options 💅

• -h, --help — shows this help message and then dips. bye 👋
• -b — just shows the Bulk modulus from the v-e data. that's it, that's the whole assignment 📏
• --eos EOS — your choice of EOS, and the options are vinet, birch_murnaghan, and murnaghan. pick your fighter ⚔️ (yes, "Choise" is how the original spells it, we don't fix, we respect 💜)
• --exclude_imaginary — excludes the volumes that show imaginary modes 🙈 not those, girl, we don't want them
• -p, --plot — plots the data 📈 we LOVE a visual
• --pressure PRESSURE — pressure in GPa 🌡️ units matter, bestie, always
• --efe, --electronic-free-energy EFE_FILE — reads electronic free energies at temperatures and volumes ⚡ two names, one iconic flag
• -s, --save — saves the plot data in pdf 💾 PDF supremacy fr fr
• --sparse THIN_NUMBER — thins out the F-V plots of temperature. the value gets used as the deviser of the number of temperature points ✂️ (again, "deviser" is the original's word — we keep it, character for character, that's the whole rule 💖)
• --tmax TMAX — maximum calculated temperature 🔥 don't cook her past this one

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🌈 reminder: all the details above are exactly as written — flags, values, units, filenames, nothing merged, nothing invented, nothing skipped. not a single crumb lost 🍓

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and that's the page, bestie 🎀 this was phonopy-qha 2.48.0, dated February 2026, page PHONOPY-QHA(1) — periodt. go forth and do your quasi-harmonic approximation thing, you're literally the main character 💅🦋