[Pw_forum] VdW for open shell systems
Giuseppe Mattioli
giuseppe.mattioli at ism.cnr.it
Fri May 24 15:18:47 CEST 2013
Dear all
In the jungle of new dispersion corrected density functional (:-)) I was looking for an ab-initio functional supporting open shell (nspin=2)
calculations. Does anybody have information on something new that I'm not aware of (and that is NOT the semiempirical DFTD2 correction), which is
available in QE?
Thanks in advance
Giuseppe
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Giuseppe Mattioli
CNR - ISTITUTO DI STRUTTURA DELLA MATERIA
v. Salaria Km 29,300 - C.P. 10
I 00015 - Monterotondo Stazione (RM)
Tel + 39 06 90672836 - Fax +39 06 90672316
E-mail: <giuseppe.mattioli at ism.cnr.it>
ResearcherID: F-6308-2012
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