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Estimation of volume as a function of pressure
This program estimates volumes of non-molecular and molecular crystals for USPEX input in range of pressures from 0 to 500 GPa.
Authors:
Guangrui Qian
,
Bingxi Li
,
Maksim Rakitin
(python port + web interface).
Elements:
comma- or space-separated names of elements
Number of species:
comma- or space-separated numbers