[CP2K:609] Re: How do I generate PSF ?
Jack Shultz
jackyg... at gmail.com
Sun Jan 20 23:16:48 UTC 2008
../../../exe/Cygwin-i686-g95/cp2k.sopt -i 2H2O2_CI-NEB.inp > out.txt
Hope this helps. Here is what I've done with my rudimentary knowledge.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20080120/6ea9427a/attachment.htm>
-------------- next part --------------
An embedded and charset-unspecified text was scrubbed...
Name: out.txt
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20080120/6ea9427a/attachment.txt>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: 2H2O2_CI-NEB.inp
Type: application/octet-stream
Size: 1725 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20080120/6ea9427a/attachment.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: 2H2O.pdb
Type: chemical/x-pdb
Size: 1060 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20080120/6ea9427a/attachment.pdb>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: 2H2O+O2.xyz
Type: chemical/x-pdb
Size: 436 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20080120/6ea9427a/attachment-0001.pdb>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: 2H2O.xyz
Type: chemical/x-pdb
Size: 298 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20080120/6ea9427a/attachment-0002.pdb>
More information about the CP2K-user
mailing list