[CP2K-user] Phonon spectrum calculation

siqi tang tung... at gmail.com
Wed Aug 12 10:15:45 UTC 2020


Dear CP2K developer,

I'm learning how to calculate phonon spectrum using CP2K and phonopy in 
accordance with the demo (
https://www.cp2k.org/exercises:2017_uzh_cmest:phonon_calculation). The 
required essentials including Phonopy package and CP2K_tools can be 
installed well, but when I type the command "phonopy --cp2k -c Si.inp -d 
--dim="2 2 2"", the erroneous information shown in the attached image 
appears,resulting in the failure of parsing the CP2k input file by phonopy. 
Please help check this issue and any useful instruction is highly 
appreciated. Thanks.

Best,

Siqi
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