[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

Changing the oxidation state in FEFF



I was wondering whether it is possible to change the oxidation state of the absorber in FEFF input file (is there any card that could be helpful doing so)?

 

Wojciech Gawelda

 

*********************************************************************

Wojciech Gawelda

 

Laboratoire de Spectroscopie Ultrarapide (LSU)

Institut des Sciences et Ingénierie Chimiques (ISIC),

Faculté des Sciences de Base (SB-BSP)

Ecole Polytechnique Fédérale de Lausanne (EPFL)

 

CH-1015 Lausanne-Dorigny, Switzerland

Tel.:  +41 (21) 693 0452

Fax.: +41 (21) 693 0422

E-mail: wojciech.gawelda@epfl.ch

WWW: http://lsu.epfl.ch

*********************************************************************