Dear all,
We would like to calculate the electron momentum density (rho(p)), i.e; the FT of the electron density rho(r).
The latter can be obtained by using the wavefuntions resulting from PAW calculations.
Here are my questions:
1- how to extract the relevant and pratical information related to the wavefunction which is needed for this purpose ?
2- Is the wavecar the right file to look for ? If yes:
3- How to convert the binary wavecar to ascii format ?
Thank you in advance.
math
How to get the electron momentum density ?
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math123
How to get the electron momentum density ?
Last edited by math123 on Tue Apr 01, 2008 8:19 pm, edited 1 time in total.
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support_vasp
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Re: How to get the electron momentum density ?
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