[Wien] ghostbands for fcc Ni
Sergio L. Palacios
sergio at pinon.ccu.uniovi.es
Mon May 17 15:03:56 CEST 2004
Hello WIEN users !
I am trying to perform the calculation for fcc Ni presented in the UG.
I get the magnetic moment presented in page 138 of the UG, but if a take a
look at the scf file I can see that at any iteration the following message
appears
QTL-B VALUE .EQ. 2.46913 !!!!!!
Is this a sign for ghost bands ?
Am I doing something wrong ?
Thanks in advance.
--
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Dr. Sergio L. Palacios
Profesor Titular de Física Aplicada (Lecturer of Applied Physics)
Departamento de Física (Department of Physics)
Universidad de Oviedo (University of Oviedo)
Calvo Sotelo s/n
Oviedo. E-33007. Asturias
España (Spain)
Correo elect. (E-mail): slpalacios at uniovi.es
Teléfono (Phone): +34 98 510 28 48
Fax: +34 98 510 33 24
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