vdw in siesta
how to generate vdw pseudo-potentials in siesta ? It has not been discussed in atom manual.
Question information
- Language:
- English Edit question
- Status:
- Answered
- For:
- Siesta Edit question
- Assignee:
- No assignee Edit question
- Last query:
- 2016-08-23
- Last reply:
- 2017-03-20
Alberto Garcia (albertog) said : | #1 |
Please note that you need a version of ATOM capable of generating vdw pseudopotentials.
In particular, the version of ATOM distributed with the 3.X series of SIESTA *cannot* generate vdw pseudopotentials. You need a more recent version. If you work in an academic setting, you can download ATOM from the main SIESTA webpage (www.icmab.
Tony (tony2017) said : | #2 |
I do not see where is Atom program on the main Siesta webpage.
Tony (tony2017) said : | #3 |
Can anyone share some vdw pseudopotentials for atoms such as H, C, Si,...? Thank you in advance.
kuangchungwang (kevin60105) said : | #4 |
Hi, this is an interesting question.
How will vdW affect the pseudopotentials ? Are there any literatures on this ?
Using the vdW pseudopotentials, how does it affect the calculation?
Can you help with this problem?
Provide an answer of your own, or ask kamal for more information if necessary.