I have successfully installed calphy-1.3.1, The test of examples are good. When I use the deepmd potential to calculated the free energy of special structure with Ca O S atoms, an error occurs (Solid detection algorithm only works with BCC/FCC/HCP/SC/DIA. Detection algorithm can be turned off by setting conv: solid_frac: 0).
I add "solid_frac: 0" to input file, but still getting the error.
Hello every,
I have successfully installed calphy-1.3.1, The test of examples are good. When I use the deepmd potential to calculated the free energy of special structure with Ca O S atoms, an error occurs (Solid detection algorithm only works with BCC/FCC/HCP/SC/DIA. Detection algorithm can be turned off by setting conv: solid_frac: 0).
I add "solid_frac: 0" to input file, but still getting the error.
The input is added to attachment.
I hope you can give me some advice. Thank you.
Q. Li
err.txt
input.txt