QE PWscf Slab Work Function
Published:
Quantum Espresso PWscf slab model work function calculation
Posts by Tags
Ab Initio
Yambo for Linear Optics responses
Published:
Yambo linear optics responses calculation
QE PWscf Energy Barrier
Published:
Quantum Espresso PWscf vacancy migration energy barrier calculation through Climbing Image Nudeged Elastic Band (CI-NEB)
Slab Surface Modeling by Atomsk and VESTA
Published:
Slab surface modeling by using Atomsk and VESTA, in Quantum Espresso PWscf format
QE PWscf Band Structures
Published:
Quantum Espresso PWscf band structure calculation
Conference
PIERS2024 in Chengdu 
Published:
(from left) with Dr. Sichao Qu, Prof. Nicholas X. Fang, Dr. Erqian Dong 
Dragon Boat
Sarawak International Dragon Boat Regatta 2024 
Published:
Representing HKU won two champions : International Premier Open 12’s, International Premier Mix 20’s 
Energy Barrier
QE PWscf Energy Barrier
Published:
Quantum Espresso PWscf vacancy migration energy barrier calculation through Climbing Image Nudeged Elastic Band (CI-NEB)
Linear Optics
Yambo for Linear Optics responses
Published:
Yambo linear optics responses calculation
Modeling
Slab Surface Modeling by Atomsk and VESTA
Published:
Slab surface modeling by using Atomsk and VESTA, in Quantum Espresso PWscf format
PWscf
QE PWscf Slab Work Function
Published:
Quantum Espresso PWscf slab model work function calculation
QE PWscf Energy Barrier
Published:
Quantum Espresso PWscf vacancy migration energy barrier calculation through Climbing Image Nudeged Elastic Band (CI-NEB)
QE PWscf Band Structures
Published:
Quantum Espresso PWscf band structure calculation
Quantum Espresso
QE PWscf Slab Work Function
Published:
Quantum Espresso PWscf slab model work function calculation
QE PWscf Energy Barrier
Published:
Quantum Espresso PWscf vacancy migration energy barrier calculation through Climbing Image Nudeged Elastic Band (CI-NEB)
QE PWscf Band Structures
Published:
Quantum Espresso PWscf band structure calculation
Yambo
Yambo for Linear Optics responses
Published:
Yambo linear optics responses calculation
blog
QE PWscf Slab Work Function
Published:
Quantum Espresso PWscf slab model work function calculation
Yambo for Linear Optics responses
Published:
Yambo linear optics responses calculation
QE PWscf Energy Barrier
Published:
Quantum Espresso PWscf vacancy migration energy barrier calculation through Climbing Image Nudeged Elastic Band (CI-NEB)
Slab Surface Modeling by Atomsk and VESTA
Published:
Slab surface modeling by using Atomsk and VESTA, in Quantum Espresso PWscf format
QE PWscf Band Structures
Published:
Quantum Espresso PWscf band structure calculation
plog
Sarawak International Dragon Boat Regatta 2024
Published:
Representing HKU won two champions : International Premier Open 12’s, International Premier Mix 20’s
PIERS2024 in Chengdu
Published:
(from left) with Dr. Sichao Qu, Prof. Nicholas X. Fang, Dr. Erqian Dong