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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 Dinit.f9047 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
H A Dinput.f90735 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 )
H A Dcplib.f90165 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
H A Dexx_module.f9042 USE input_parameters, ONLY: ref_alat !alat of reference cell ..
/dports/science/quantum-espresso/q-e-qe-6.7.0/Modules/
H A Dcell_base.f90243 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 …]
H A Dinput_parameters.f90310 REAL(DP) :: ref_alat = 0.0_DP variable
641 exx_fraction, screening_parameter, ref_alat, & local