Search found 3 matches
- Mon Oct 10, 2016 2:19 pm
- Forum: Link to other codes
- Topic: How to change nuclear size in pseudopotential?
- Replies: 0
- Views: 2333
How to change nuclear size in pseudopotential?
Dear developers: When generating paw pseudopotential, there is a keyword named "nuclear_keyword" in the input file. We can choose "point-nucleus" or "finite-nucleus" for this keyword. If we choose "finite-nucleus", we will assume finite nucleus potential for r...
- Wed Sep 21, 2016 3:58 pm
- Forum: Ground state
- Topic: How can I set the nuclear charge radii in the Input files?
- Replies: 0
- Views: 1895
How can I set the nuclear charge radii in the Input files?
How can I set the nuclear charge radii in the Input files? 
- Tue Sep 20, 2016 1:51 pm
- Forum: Link to other codes
- Topic: how can I generate the pwfn.data in parallel mode?
- Replies: 0
- Views: 5097
how can I generate the pwfn.data in parallel mode?
The exporter does not currently work when ABINIT is used in parallel mode on multiple processors if k-point parallelism is chosen. ABINIT does not store the full wave function on each processor but rather splits the k-points between the processors, so no one processor could write out the whole file....