Media Summary: G. Kang et al., Phys. Rev. B 91 (2015) 155141. ---------------------------------------------------------------- ----- PBE G0W0 GW0 GW ... case_band.files ----- case_band.in case_band.out caseo case_bando case_bandtmp Ti.GGA_PBE-JTH.xml C.GGA_PBE-JTH.xml ... case_opt.files ----- case_opt.in case_opt.out case_opti case_opto case_opttmp Fe.GGA_PBE-JTH-paw.xml ...

Abinit Pbe0 Calculation - Detailed Analysis & Overview

G. Kang et al., Phys. Rev. B 91 (2015) 155141. ---------------------------------------------------------------- ----- PBE G0W0 GW0 GW ... case_band.files ----- case_band.in case_band.out caseo case_bando case_bandtmp Ti.GGA_PBE-JTH.xml C.GGA_PBE-JTH.xml ... case_opt.files ----- case_opt.in case_opt.out case_opti case_opto case_opttmp Fe.GGA_PBE-JTH-paw.xml ... case.files ----- case_DOS.in case_DOS.out caseo case_DOSo case_DOStmp ----- □ case.in ----- # SCF case.files ----- case.in case.out casei caseo casetmp C.GGA_PBE-JTH.xml Ti.GGA_PBE-JTH.xml ----- □ case.in ----- # SCF ... Speaker: Gonze, Xavier (Univ. Catholique of Louvain) School on Electron-Phonon Physics from First Principles (smr 3191) ...

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Abinit (PBE0 calculation)
Abinit (B3LYP calculation)
Abinit (fatbands calculation)
Abinit (band calculation)
Abinit: first tutorial on H2 molecules [HD 02]
Abinit (structure optimization)
Abinit (HSE06 calculation)
Abinit (DOS calculation, expand unoccupied states)
Normconerving pseudo potential (dojo) for Abinit
Abinit (DOS calculation)
Abinit (SCF calculation)
Introduction to ABINIT
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Abinit (PBE0 calculation)

Abinit (PBE0 calculation)

G. Kang et al., Phys. Rev. B 91 (2015) 155141. ---------------------------------------------------------------- | ----- |PBE |G0W0 |GW0 |GW ...

Abinit (B3LYP calculation)

Abinit (B3LYP calculation)

G. Kang et al., Phys. Rev. B 91 (2015) 155141. ---------------------------------------------------------------- | ----- |PBE |G0W0 |GW0 |GW ...

Abinit (fatbands calculation)

Abinit (fatbands calculation)

cif2cell -p

Abinit (band calculation)

Abinit (band calculation)

case_band.files ----- case_band.in case_band.out caseo case_bando case_bandtmp Ti.GGA_PBE-JTH.xml C.GGA_PBE-JTH.xml ...

Abinit: first tutorial on H2 molecules [HD 02]

Abinit: first tutorial on H2 molecules [HD 02]

In this

Abinit (structure optimization)

Abinit (structure optimization)

case_opt.files ----- case_opt.in case_opt.out case_opti case_opto case_opttmp Fe.GGA_PBE-JTH-paw.xml ...

Abinit (HSE06 calculation)

Abinit (HSE06 calculation)

G. Kang et al., Phys. Rev. B 91 (2015) 155141. ---------------------------------------------------------------- | ----- |PBE |G0W0 |GW0 |GW ...

Abinit (DOS calculation, expand unoccupied states)

Abinit (DOS calculation, expand unoccupied states)

case.files ----- case_DOS.in case_DOS.out caseo case_DOSo case_DOStmp ----- □ case.in ----- # SCF

Normconerving pseudo potential (dojo) for Abinit

Normconerving pseudo potential (dojo) for Abinit

説明.

Abinit (DOS calculation)

Abinit (DOS calculation)

case.files ----- case_DOS.in case_DOS.out caseo case_DOSo case_DOStmp ----- □ case.in ----- # SCF

Abinit (SCF calculation)

Abinit (SCF calculation)

case.files ----- case.in case.out casei caseo casetmp C.GGA_PBE-JTH.xml Ti.GGA_PBE-JTH.xml ----- □ case.in ----- # SCF ...

Introduction to ABINIT

Introduction to ABINIT

Speaker: Gonze, Xavier (Univ. Catholique of Louvain) School on Electron-Phonon Physics from First Principles | (smr 3191) ...

Normconerving pseudo potential for Abinit from abinit hp

Normconerving pseudo potential for Abinit from abinit hp

説明.