PHASE/0 Snippets
This extension for Visual Studio Code adds snippets for PHASE/0, a first-principles electronic structure calculation software.
Usage
This extension will be enabled for files that meet the following conditions.
- The file which name is "nfinp.data" or "nfinput.data".
- The first line of the file is "!-*- PHASE0 -*-" or "!phase0_input".
Snippets
Every snippet starts with the prefix "ph-".
Type "ph-" to see the choices.
Please select from the items displayed.
| keywords |
function |
| ph-control |
control block |
| ph-accuracy |
accuracy block |
| ph-structure |
structure block |
| ph-solver |
wavefunction_solver block & charge_mixing block |
| ph-opt-atom-coords |
structure_evolution block； optimize fractional coordinates |
| ph-opt-lattice |
structure_evolution block；optimize lattice |
| ph-epsilon |
epsilon block |
| ph-phonon |
phonon (gamma point only) |
| ph-postprocess |
postprocess block (DOS, workfunction, partial charge density) |
| ph-molecular-dynamics |
structure_evolution block; NVT, NPT |
The following snippet can be used inside the accuracy block.
| keywords |
function |
| ph-proj |
projector |
| ph-plusU |
DFT+U |
| ph-vdwdf |
vdW-DF |
| ph-hybrid |
hybrid functional (HSE06) |
| |
