[Pw_forum] The unit of potential (??)

Cristian Degli Esposti Boschi degliesposti at bo.imm.cnr.it
Mon Feb 27 14:55:24 CET 2017


Hi Evan,

regarding your question below, various times I had to extract the 
potential with the same parameters for pp.x

AFAIK the units used in that case are ATOMIC RYDBERG UNITS, that means 
Rydbergs (Ry) for energy, and


1 Ry = 13.6057 eV


Cheers


 >Hello, everyone

 >I output the potential by pp.x (iflag = 3, output_format = 5), I like 
 >to know what is the unit of the potential, and how to convert to the 
 >unit with eV.
 >Thank you in advance.

 >Evan
 >USC, China

-- 
Cristian Degli Esposti Boschi
CNR-IMM, Sezione di Bologna,
via Gobetti, 101, 40129, Bologna, Italia
tel. ++39 051 6399152, fax ++39 051 6399216
email: degliesposti -AT- bo.imm.cnr.it
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