[Pw_forum] ESM method

[Rajesh]

Dear Users,

in the manual I find this "*ESM region begins at z = +/- [L_z/2 + esm_w]*".
Suppose I have graphene sheet of with 3.33Angstrom as its thickness and I
want to apply a 15Angstrom vacuum on both sides of the sheet. What are z
and L_z/2 here?? is L_z/2=3.33A?? and Then what will be the value of
position offset esm_w?? is esm_w=15angstrom?? and z=3.33+15+15=33.3
Angstrom? Please explain.


Thank you.



Rajesh
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20170726/400bded9/attachment.html>