[Pw_forum] about band gap

Ezad Shojaee ezadshojaee at hotmail.com
Mon May 22 12:50:35 CEST 2006


thank you Giovanni
don't you think that if i want to use the cartesian coordinates as you said 
, i have to convert them to BOHR? because the celldm(1) must be speciefied 
in Bohr  & so on.
thanks

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