[Pw_forum] How to get the electrical potential of each atom
Ngoc Linh Nguyen
nnlinh at sissa.it
Mon Mar 8 09:21:46 CET 2010
> Dear sir,
>
> How to get the electrical potential of each atom for the VBM
> correction of defect study?
"VBM" what is it?
It is hardly to understand the definition "electrical potential of each
atom", do you mean "local ionic potential" ?
If yes, you can put "plot_num = 2" in input file of pp.x.
Linh.
-----------------------------------------------------
Nguyen Ngoc Linh, PhD Student
c/o: SISSA & CNR-INFM Democritos,
via Beirut 2-4, 34014 Trieste (Italy)
email: nnlinh at sissa.it
phone: +39 04 03787 319
skype: ngoclinh84phys
-----------------------------------------------------
"The physics is theoretical but the fun is real"
More information about the users
mailing list