[CP2K:3165] error in bond dissociation energy of gas phase molecule

Jun Cheng chen... at gmail.com
Wed Apr 6 12:48:00 CEST 2011


inputs for H2O2 are attached.
Jun
-------------- next part --------------
A non-text attachment was scrubbed...
Name: H2O2.inp
Type: chemical/x-gamess-input
Size: 2704 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20110406/d275a4ed/attachment.inp>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: OH.inp
Type: chemical/x-gamess-input
Size: 2628 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20110406/d275a4ed/attachment-0001.inp>


More information about the CP2K-user mailing list