Searched refs:ewld (Results 1 – 7 of 7) sorted by relevance
/dports/science/quantum-espresso/q-e-qe-6.7.0/PW/src/ |
H A D | add_qexsd_step.f90 | 25 USE ener, ONLY: etot, eband, ehart, etxc, vtxc, ewld, demet, ef 99 eband/e2, ehart/e2, vtxc/e2, etxc/e2, ewld/e2, degauss_ptr, demet_ptr,&
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H A D | pw2casino_write.f90 | 16 USE ener, ONLY: ewld, ehart, etxc, vtxc, etot, etxcc, demet, ef 446 ewld = ewald( alat, nat, ntyp, ityp, zv, at, bg, tau, omega, & 458 etot_=(ek + (etxc-etxcc)+ehart+eloc+enl+ewld)+demet+fock2 477 WRITE (stdout,*) 'Ewald energy ', ewld/e2, ' au = ', ewld, ' Ry' 657 dble(ewld/e2) ,& 783 WRITE(io,*)ewld/e2
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H A D | electrons.f90 | 27 vtxc, etxc, etxcc, ewld, demet, epaw, & 370 vtxc, etxc, etxcc, ewld, demet, epaw, & 498 ewld = esm_ewald() 500 ewld = ewald( alat, nat, nsp, ityp, zv, at, bg, tau, & 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
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H A D | pwcom.f90 | 309 REAL(DP) :: ewld variable
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H A D | pw_restart_new.f90 | 92 USE ener, ONLY : ef, ef_up, ef_dw, vtxc, etxc, ewld, etot, & 605 … etxc/e2, ewld/e2, degauss_, demet_, efield_corr, potstat_corr,&
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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/chinese/rime-array/rime-array-d10f2f8b2aec7c7e736ace01e8a399e5ae5e7c3a/ |
H A D | array30_phrases.dict.yaml | 47477 關島 ewld'
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