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- From: "Aldo Humberto Romero" <aromero@qro.cinvestav.mx>
- To: forum@abinit.org
- Subject: [abinit-forum] Scissor Operator
- Date: Fri, 1 Aug 2008 10:33:48 -0500 (CDT)
- Importance: Normal
Dear abinitiers
I am doing an electronic structure calculation and
we are trying to track a problem with the electronic gap.
One way to deal with this problem it is to include the
scissor operator, which seems to me, it is include in
Abinit. But when I do the band structure calculation and
include the variable
sciss 0.1
nothing change in the band structure. I did check the input
variable description and it says that it will affect the
response part. Can somebody clarify to me how that is done? is it
possible to use the scissor operator just for the electronic
band structure? is it possible to use the scissor band structure
to calculate phonons?
Thanks in advance!!
---------------------------------------------------
Prof. Aldo Humberto Romero
CINVESTAV-Unidad Queretaro
Libramiento Norponiente 2000
CP 76230, Queretaro, QRO, Mexico
tel: 442 211 9909
fax: 442 211 9938
email: aromero@qro.cinvestav.mx
aldorome@gmail.com
www: qro.cinvestav.mx/~aromero
- [abinit-forum] Compiling problem, Enrico, 08/01/2008
- [abinit-forum] Scissor Operator, Aldo Humberto Romero, 08/01/2008
- Re: [abinit-forum] Scissor Operator, matthieu verstraete, 08/01/2008
- Re: [abinit-forum] Scissor Operator, Philippe GHOSEZ, 08/04/2008
- Re: [abinit-forum] Scissor Operator, matthieu verstraete, 08/01/2008
- Re: [abinit-forum] Compiling problem, Xavier Gonze, 08/02/2008
- Re: [abinit-forum] Compiling problem, Alain Jacques, 08/02/2008
- [abinit-forum] Scissor Operator, Aldo Humberto Romero, 08/01/2008
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