Comments (1)
We can use small gpw file size as default and full wavefunction save as an argument. For the electron density calculations, it can use full wavefunctions, but in the end, it will save smaller gpw. If the user needs full wavefunctions, he/she can use -a for example (all) to save all wavefunctions.
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Related Issues (20)
- GW0 or G0W0? HOT 1
- Code is not working with calling gpaw HOT 1
- The lastest gg.py can load config file only from main directory HOT 1
- Unnecessary variables in config files HOT 1
- Cannot change number of points and smearing width in DOS calculations.
- Need to use many XC functionals with gpawsolve.py
- -r arg is not giving a proper error when file is not found HOT 1
- Electron density calculations are not compatible with Bader HOT 1
- Variable naming is not very elegant HOT 2
- Methods / Features table must be controlled HOT 1
- Spin calculation do not work with gpaw version 22.1.0 HOT 1
- Behaviour of button in "Load Structure" tab
- Restart mode must be enhanced for Band and Optical Calculations HOT 1
- Occupation method is missing HOT 1
- quickoptimize.py must be enhanced HOT 2
- gg.py can not invoke threads in hyperthreading-enabled devices
- G0W0 Problem
- Sometimes quickoptimize.py is giving duplicated atoms HOT 2
- Better Python usage? HOT 2
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