Python bindings for the `buildcell` program for Ab Initio Random Structure Searching (AIRSS)
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Is it possible to build the cell with the following arguments? #3
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YuanbinLiu opened 10 months ago
Is it possible to build the cell with the following arguments? If possible, a concrete example will be very helpful. Thanks a lot!
VARVOL=15
SPECIES=A%NUM=4,B%NUM=1
NFORM=2
MINSEP=1.5