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References, release note and credit for last addition 

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10458 c92efa57-630b-4861-b058-cf58834340f0
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giannozz 2013-09-18 19:05:57 +00:00
parent 283c830ef8
commit 6d6e8ccaff
3 changed files with 5 additions and 1 deletions
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2
Doc/release-notes
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@ -5,7 +5,7 @@ New in svn version
* GWW replaced by GWL (using Lanczos chains)
* turboTDDFT: pseudo_Hamiltonians, Davidson-like diagonalization
* PWCOND with DFT+U
* New functional 'gau-pbe'
* New functionals: gau-pbe, PW86 (unrevised), B86B
* Added the subdirectory FD in PHonon. Calculation of phonon dispersions
using the finite displacements supercell approach.
* dynmat.x can calculate phonon contribution to dielectric tensor

2
Modules/funct.f90
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@ -191,6 +191,8 @@ module funct
! obpw as above
! b88 A.D.Becke, PRA 38, 3098 (1988)
! p86 J.P.Perdew, PRB 33, 8822 (1986)
! pw86 J.P.Perdew, PRB 33, 8800 (1986)
! b86b A.D.Becke, J.Chem.Phys. 85, 7184 (1986)
! pbe J.P.Perdew, K.Burke, M.Ernzerhof, PRL 77, 3865 (1996)
! pw91 J.P.Perdew and Y. Wang, PRB 46, 6671 (1992)
! blyp C.Lee, W.Yang, R.G.Parr, PRB 37, 785 (1988)

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PW/Doc/user_guide.tex
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@ -160,6 +160,8 @@ We quote in particular:
Other relevant contributions to \PWscf:
\begin{itemize}
\item Alberto Otero de la Roza (Merced Univ.) contributed PW86 (unrevised)
and B86B functionals.
\item Xiaochuan Ge (SISSA) contributed Smart MonteCarlo Langevin dynamics
\item Yves Ferro (Univ. Provence) contributed SOGGA and M06L functionals
\item Minoru Otani (AIST), Yoshio Miura (Tohoku U.),