[Pw_forum] comparsion of Rusult with reported one (Imaginary part of dielectric function)

mohsen modaresi modaresi.mohsen at gmail.com
Fri May 28 10:51:16 CEST 2010


Dear all
I compute imaginary part of dielectric function for (h-BN) and i get
this result but there is some remarkable difference between my result
and reported one. Where is my problem? (SCF, NSCF, result and reported
dielectric funtion (Ref: Camputatioal Materials Science 22 (2001)
78-80) are attached).
I used the SCF and NSCF input file from test3 of WANT package.
Thanks a lot
Mohsen Modarsei
M.Sc Student of Solid State Physics, Ferdowsi University of Mashhad, Iran.
-------------- next part --------------
A non-text attachment was scrubbed...
Name: BNHscf.in
Type: application/octet-stream
Size: 3189 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20100528/88a3f35a/attachment.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: BNHnscf.in
Type: application/octet-stream
Size: 3191 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20100528/88a3f35a/attachment-0001.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: Result.jpg
Type: image/jpeg
Size: 34606 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20100528/88a3f35a/attachment.jpg>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: reported..JPG
Type: image/jpeg
Size: 23266 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20100528/88a3f35a/attachment.jpe>


More information about the users mailing list