[Pw_forum] Doubt in celldm(1)
padmaja_patnaik at yahoo.co.uk
Fri Apr 22 20:59:04 CEST 2011
I have a doubt regarding the value of celldm(1) in the input file for a supercell calculations. Celldm(1) is the lattice constant value. If I am using a supercell constructed by expanding the original lattice constant 'a' 2 times in all direction, then what will be the value of celldm(1) now? Will it be the original lattice constant 'a' or '2a'?
Thanks in advance
Dept of Physics
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