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
_______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
