rtpwfn
Luca
luca.d... at gmail.com
Sat Sep 30 06:07:57 UTC 2017
Dear Developers
I am writing to ask your help for writing both the wfn and the rtpwfn in
ASCII format.
Furthermore, I would like to print them in different files during the RT or
MD propagation.
Which are the routines one needs to change to print the wfn and the rtpwfn
in ASCII format?
I think that this stuff would be very very welcome by those who want to
make a bit of post-processing on the RT propagation.
Thank you in advance for your help.
Best Wishes.
Luca Sementa
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20170929/e2c4b8d0/attachment.htm>
More information about the CP2K-user
mailing list