cak.py for volume

[victornad...@gmail.com]

Dear calypso mailing,

Is there a simple way to show/calculate the volume for each result with cak.py?

        No.      Enthalpy            0.1
   1 (   3)      -6.35029       I4_1(80)
   2 (   1)      -5.85668       R3m(160)
   3 (   2)      -5.57225     P-43m(215)
such as another column with the volume/atom?

Otherwise I could use the struct.dat file or build the cifs/poscars and then calculate the volume in a post-process.

Thanks, Victor

[Pengyue gao]

Sorry! Currently,  volume couldn't be shown in the Analysis_output.dat file. You can use "cak.py --vasp" to generate POSCARs and calculate the volume.  

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