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Searched refs:etxcc (Results 1 – 5 of 5) sorted by relevance

/dports/science/quantum-espresso/q-e-qe-6.7.0/PW/src/
H A Delectrons.f9027 vtxc, etxc, etxcc, ewld, demet, epaw, &
370 vtxc, etxc, etxcc, ewld, demet, epaw, &
617 hwf_energy = eband + deband_hwf + (etxc - etxcc) + ewld + ehart + demet
902 etot = eband + ( etxc - etxcc ) + ewld + ehart + deband + demet + descf
1395 WRITE( stdout, 9062 ) (eband + deband), ehart, ( etxc - etxcc ), ewld
1415 SUM(etot_cmp_paw(:,2,1))+SUM(etot_cmp_paw(:,2,2))+etxc-etxcc
H A Dpwcom.f90307 REAL(DP) :: etxcc variable
H A Dpw2casino_write.f9016 USE ener, ONLY: ewld, ehart, etxc, vtxc, etot, etxcc, demet, ef
458 etot_=(ek + (etxc-etxcc)+ehart+eloc+enl+ewld)+demet+fock2
478 WRITE (stdout,*) 'xc contribution ',(etxc-etxcc)/e2, ' au = ', etxc-etxcc, ' Ry'
/dports/science/quantum-espresso/q-e-qe-6.7.0/GWW/pw4gww/
H A Dproduce_wannier_gamma.f9033 vtxc, etxc, etxcc, ewld, demet, epaw, &
/dports/science/quantum-espresso/q-e-qe-6.7.0/Doc/
H A DChangeLog.pw1171 13 mar 2003 obsolete core-charge only term (etxcc) removed