[Wien] L -4
Dear WIEN2k team, In case.clmsum and case.vcoul one finds designations like CLM(R) FOR L 4 M= 4 CLM(R) FOR L -4 M= 4 Does the second line mean CLM(R) FOR L 4 M= -4 ? John Rundgren / KTH ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
Re: [Wien] L -4
yes On Thu, 12 Sep 2013, John Rundgren wrote: Dear WIEN2k team, In case.clmsum and case.vcoul one finds designations like CLM(R) FOR L 4 M= 4 CLM(R) FOR L -4 M= 4 Does the second line mean CLM(R) FOR L 4 M= -4 ? John Rundgren / KTH ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
Re: [Wien] L -4
No. We expand the density in real spherical harmonics, which are linear combinations ofY_44 +/- Y_4-4 and these two combinations are labeled that way. There are papers by Kurki-Suonio, or see the UG (lapw2). On 09/12/2013 04:05 PM, John Rundgren wrote: Dear WIEN2k team, In case.clmsum and case.vcoul one finds designations like CLM(R) FOR L 4 M= 4 CLM(R) FOR L -4 M= 4 Does the second line mean CLM(R) FOR L 4 M= -4 ? John Rundgren / KTH ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html -- P.Blaha -- Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna Phone: +43-1-58801-165300 FAX: +43-1-58801-165982 Email: bl...@theochem.tuwien.ac.atWWW: http://info.tuwien.ac.at/theochem/ -- ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
Re: [Wien] L -4
Ah yes. I answered too fast. On Thu, 12 Sep 2013, Peter Blaha wrote: No. We expand the density in real spherical harmonics, which are linear combinations ofY_44 +/- Y_4-4 and these two combinations are labeled that way. There are papers by Kurki-Suonio, or see the UG (lapw2). On 09/12/2013 04:05 PM, John Rundgren wrote: Dear WIEN2k team, In case.clmsum and case.vcoul one finds designations like CLM(R) FOR L 4 M= 4 CLM(R) FOR L -4 M= 4 Does the second line mean CLM(R) FOR L 4 M= -4 ? John Rundgren / KTH ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html -- P.Blaha -- Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna Phone: +43-1-58801-165300 FAX: +43-1-58801-165982 Email: bl...@theochem.tuwien.ac.atWWW: http://info.tuwien.ac.at/theochem/ -- ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
