Dear experts, I have developed a 3*3*3 supercell for Zr using Vesta. I find the units of the XYZ positions of Zr is in Angstrom.
In that case, for the pw.x input what should be the unit of celldm(1)? Thanks, Best regards, Krishnendu -- Dr. Krishnendu Mukherjee, Principal Scientist, CSIR-NML, Jamshedpur.
_______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
