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 D | electrons.f90 | 27 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
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H A D | pwcom.f90 | 307 REAL(DP) :: etxcc variable
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H A D | pw2casino_write.f90 | 16 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'
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/dports/science/quantum-espresso/q-e-qe-6.7.0/GWW/pw4gww/ |
H A D | produce_wannier_gamma.f90 | 33 vtxc, etxc, etxcc, ewld, demet, epaw, &
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/dports/science/quantum-espresso/q-e-qe-6.7.0/Doc/ |
H A D | ChangeLog.pw | 1171 13 mar 2003 obsolete core-charge only term (etxcc) removed
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