Searched refs:ref_alat (Results 1 – 6 of 6) sorted by relevance
/dports/science/quantum-espresso/q-e-qe-6.7.0/CPV/src/ |
H A D | init.f90 | 47 USE input_parameters, ONLY : ref_cell, ref_alat 101 WRITE( stdout,'(3X,"Reference Cell alat =",F14.8,1X,"A.U.")' ) ref_alat 102 …3X,"ref_cell_a1 =",1X,3f14.8,3x,"ref_cell_b1 =",3f14.8)') ref_at(:,1)*ref_alat,ref_bg(:,1)/ref_alat 103 …3X,"ref_cell_a2 =",1X,3f14.8,3x,"ref_cell_b2 =",3f14.8)') ref_at(:,2)*ref_alat,ref_bg(:,2)/ref_alat 104 …3X,"ref_cell_a3 =",1X,3f14.8,3x,"ref_cell_b3 =",3f14.8)') ref_at(:,3)*ref_alat,ref_bg(:,3)/ref_alat 174 WRITE( stdout,'(3X,"Reference Cell alat =",F14.8,1X,"A.U.")' ) ref_alat
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H A D | input.f90 | 735 ref_cell_units, ref_alat 839 CALL ref_cell_base_init( ref_alat, rd_ref_ht, ref_cell_units ) 840 CALL gcutoffs_setup( ref_alat , tk_inp, nkstot, xk )
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H A D | cplib.f90 | 165 USE input_parameters, ONLY: ref_cell, ref_alat 170 …,'(3X,"Reference Cell alat is",F14.8,1X,"A.U is used to Compute Gcutoffs:")') ref_alat ! BS : debug
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H A D | exx_module.f90 | 42 USE input_parameters, ONLY: ref_alat !alat of reference cell ..
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/dports/science/quantum-espresso/q-e-qe-6.7.0/Modules/ |
H A D | cell_base.f90 | 243 SUBROUTINE ref_cell_base_init( ref_alat, rd_ref_ht, ref_cell_units ) argument 250 REAL(DP), INTENT(INOUT) :: ref_alat local 264 IF( ref_alat .GT. 0.0_DP ) THEN 265 units = ref_alat 278 ref_alat = SQRT ( ref_at(1,1)**2+ref_at(2,1)**2+ref_at(3,1)**2 ) 280 ref_at(:,:) = ref_at(:,:) / ref_alat 286 ref_tpiba2 = (2.0_DP * pi / ref_alat)**2 293 WRITE( stdout, '(3X,"ref_cell_a1 = ",1X,3f14.8)' ) ref_at(:,1)*ref_alat 294 WRITE( stdout, '(3X,"ref_cell_a2 = ",1X,3f14.8)' ) ref_at(:,2)*ref_alat 295 WRITE( stdout, '(3X,"ref_cell_a3 = ",1X,3f14.8)' ) ref_at(:,3)*ref_alat [all …]
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H A D | input_parameters.f90 | 310 REAL(DP) :: ref_alat = 0.0_DP variable 641 exx_fraction, screening_parameter, ref_alat, & local
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