/dports/science/quantum-espresso/q-e-qe-6.7.0/PW/src/ |
H A D | wfcinit.f90 | 25 USE io_files, ONLY : nwordwfc, nwordwfcU, iunhub, iunwfc,& 57 CALL open_buffer( iunwfc, 'wfc', nwordwfc, io_level, exst_mem, exst_file ) 86 CALL save_buffer ( evc, nwordwfc, iunwfc, ik ) 93 CALL close_buffer(iunwfc, 'delete') 94 CALL open_buffer(iunwfc,'wfc', nwordwfc, io_level, exst_mem, exst_file) 106 INQUIRE (unit = iunwfc, opened = opnd_file) 107 IF ( .NOT.opnd_file ) CALL diropn( iunwfc, 'wfc', 2*nwordwfc, exst ) 108 CALL davcio ( evc, 2*nwordwfc, iunwfc, nks, -1 ) 109 IF ( .NOT.opnd_file ) CLOSE ( UNIT=iunwfc, STATUS='keep' ) 186 CALL save_buffer ( evc, nwordwfc, iunwfc, ik )
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H A D | punch.f90 | 25 USE io_files, ONLY : iunpun, iunwfc, nwordwfc, diropn, & 120 IF (io_level < 1) CALL diropn( iunwfc, 'wfc', 2*nwordwfc, exst ) 121 CALL davcio ( evc, 2*nwordwfc, iunwfc, nks, 1 ) 122 IF (io_level < 1) CLOSE ( UNIT=iunwfc, STATUS='keep' )
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H A D | close_files.f90 | 16 USE io_files, ONLY: prefix, iunwfc, iunsat, & 34 CALL close_buffer ( iunwfc, 'DELETE' ) 36 CALL close_buffer ( iunwfc, 'KEEP' )
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H A D | read_file_new.f90 | 17 USE io_files, ONLY : nwordwfc, iunwfc, restart_dir 38 CALL open_buffer ( iunwfc, 'wfc', nwordwfc, io_level, exst ) 48 CALL save_buffer ( evc, nwordwfc, iunwfc, ik ) 56 CALL close_buffer ( iunwfc, 'KEEP' ) 70 USE io_files, ONLY : nwordwfc, iunwfc, wfc_dir, tmp_dir, restart_dir
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H A D | c_bands.f90 | 19 USE io_files, ONLY : iunhub, iunwfc, nwordwfc, nwordwfcU 61 CALL get_buffer ( evc, nwordwfc, iunwfc, ik ) 97 CALL get_buffer ( evc, nwordwfc, iunwfc, ik ) 113 CALL save_buffer ( evc, nwordwfc, iunwfc, ik ) 667 USE io_files, ONLY : iunhub, iunwfc, nwordwfc, nwordwfcU 705 CALL get_buffer( evc, nwordwfc, iunwfc, ik ) 754 CALL get_buffer( evc, nwordwfc, iunwfc, ik ) 768 IF ( io_level > -1 ) CALL save_buffer( evc, nwordwfc, iunwfc, ik )
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H A D | non_scf.f90 | 20 USE io_files, ONLY : iunwfc, nwordwfc 100 CALL save_buffer( evc, nwordwfc, iunwfc, nks )
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/dports/science/quantum-espresso/q-e-qe-6.7.0/PWCOND/src/ |
H A D | openfil_cond.f90 | 18 USE io_files, ONLY : iunwfc, nwordwfc 32 CALL open_buffer( iunwfc, 'wfc', nwordwfc, io_level, exst ) 45 USE io_files, ONLY : iunwfc 50 CALL close_buffer( iunwfc, 'keep' )
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/dports/science/quantum-espresso/q-e-qe-6.7.0/TDDFPT/src/ |
H A D | lr_read_wf.f90 | 23 USE io_files, ONLY : nwordwfc, iunwfc, prefix, diropn,& 141 CALL diropn ( iunwfc, 'wfc', 2*nwordwfc, exst) 149 CLOSE( UNIT = iunwfc) 151 CALL diropn ( iunwfc, 'wfc', 2*nwordwfc, exst) 164 CALL davcio(evc0(:,:,ik),2*nwordwfc,iunwfc,ik,-1) 168 CLOSE( UNIT = iunwfc) 355 CALL diropn ( iunwfc, 'wfc', 2*nwordwfc, exst) 362 CLOSE( UNIT = iunwfc) 364 CALL diropn ( iunwfc, 'wfc', 2*nwordwfc, exst) 378 CALL davcio(evc_all(:,:,ik),2*nwordwfc,iunwfc,ik,-1) [all …]
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H A D | lr_dvpsi_eels.f90 | 39 USE io_files, ONLY : iunwfc, nwordwfc 88 CALL get_buffer (evc, nwordwfc, iunwfc, ikk) 89 CALL get_buffer (evq, nwordwfc, iunwfc, ikq)
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H A D | lr_init_nfo.f90 | 34 USE io_files, ONLY : prefix, iunwfc, nwordwfc, wfc_dir 110 CALL open_buffer (iunwfc, 'wfc', nwordwfc, io_level, exst_mem, exst) 143 CALL get_buffer (evc, nwordwfc, iunwfc, ikk)
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H A D | lr_calc_dens_eels.f90 | 37 USE io_files, ONLY : iunwfc, nwordwfc 75 IF (nksq > 1) CALL get_buffer (evc, nwordwfc, iunwfc, ikk)
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/dports/science/quantum-espresso/q-e-qe-6.7.0/PP/src/ |
H A D | stop_pp.f90 | 14 USE io_files, ONLY: iunwfc 21 INQUIRE ( iunwfc, opened = op ) 22 IF ( op ) CLOSE (unit = iunwfc, status = 'delete')
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H A D | openfil_pp.f90 | 20 USE io_files, ONLY : prefix, iunwfc, diropn, & 43 CALL diropn( iunwfc, 'wfc', 2*nwordwfc, exst )
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H A D | open_grid.f90 | 13 USE io_files, ONLY : prefix, tmp_dir, nwordwfc, iunwfc, diropn 96 CALL open_buffer(iunwfc, 'wfc', nwordwfc, io_level, exst_mem, exst) 138 CALL close_buffer(iunwfc,'keep') 165 CALL open_buffer(iunwfc, 'wfc', nwordwfc, +1, exst_mem, exst) 195 CALL save_buffer( evx, nwordwfc, iunwfc, ik_idx_kpt )
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/dports/science/quantum-espresso/q-e-qe-6.7.0/PHonon/FD/ |
H A D | stop_pp.f90 | 17 use io_files, only: iunwfc 25 inquire ( iunwfc, opened = op ) 27 if ( op ) close (unit = iunwfc, status = 'delete')
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/dports/science/quantum-espresso/q-e-qe-6.7.0/GWW/pw4gww/ |
H A D | stop_pp.f90 | 19 use io_files, only: iunwfc 27 inquire ( iunwfc, opened = op ) 29 if ( op ) close (unit = iunwfc, status = 'delete')
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H A D | produce_wannier_gamma.f90 | 19 USE io_files, ONLY : prefix, tmp_dir, nwordwfc,iunwfc 201 if(nspin==1) CALL davcio(evc,2*nwordwfc,iunwfc,1,1) 217 call go_wannier(iunwfc,1.d-9,40,num_nbndv(is), 0, is) 258 call davcio(evc,2*nwordwfc,iunwfc,is,-1) 425 call davcio(evc,2*nwordwfc,iunwfc,is,-1) 482 call davcio(evc,2*nwordwfc,iunwfc,is,-1) 509 call davcio(evc,2*nwordwfc,iunwfc,is,-1) 549 CALL davcio(evc,2*nwordwfc,iunwfc,is,-1) 580 CALL davcio(evc,2*nwordwfc,iunwfc,is,-1) 594 CALL davcio(evc,2*nwordwfc,iunwfc,is,-1) [all …]
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H A D | openfil_pw4gww.f90 | 22 USE io_files, ONLY : prefix, tmp_dir, iunwfc, nwordwfc, iunsat, nwordatwfc, diropn 40 CALL diropn( iunwfc, 'wfc', 2*nwordwfc, exst )
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/dports/science/quantum-espresso/q-e-qe-6.7.0/GWW/simple/ |
H A D | stop_pp.f90 | 17 use io_files, only: iunwfc 27 inquire ( iunwfc, opened = op ) 29 if ( op ) close (unit = iunwfc, status = 'delete')
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H A D | openfile_simple.f90 | 11 USE io_files, ONLY : prefix, iunwfc, nwordwfc, iunsat, nwordatwfc, diropn 30 CALL diropn( iunwfc, 'wfc', 2*nwordwfc, exst )
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/dports/science/quantum-espresso/q-e-qe-6.7.0/PHonon/PH/ |
H A D | c_bands_ph.f90 | 22 USE io_files, ONLY : iunhub, iunwfc, nwordwfc, nwordwfcU 62 CALL get_buffer ( evc, nwordwfc, iunwfc, ik ) 110 CALL get_buffer ( evc, nwordwfc, iunwfc, ik ) 136 IF ( io_level > -1 ) CALL save_buffer ( evc, nwordwfc, iunwfc, ik )
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H A D | non_scf_ph.f90 | 21 USE io_files, ONLY : iunwfc, nwordwfc, iunefield 95 CALL save_buffer ( evc, nwordwfc, iunwfc, nks )
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/dports/science/quantum-espresso/q-e-qe-6.7.0/GWW/bse/ |
H A D | openfil_bse.f90 | 6 USE io_files, ONLY : prefix, iunwfc, nwordwfc,nwordatwfc, diropn 25 CALL diropn( iunwfc, 'wfc', 2*nwordwfc, exst )
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H A D | tmp.f90 | 5 use io_files, ONLY : prefix, iunwfc 31 call davcio(evc,2*nwordwfc,iunwfc,is,-1)
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/dports/science/berkeleygw/BGW-2.0.0/MeanField/ESPRESSO/version-5.1/ |
H A D | espresso-5.1-patch | 315 - USE io_files, ONLY : iunwfc, nwordwfc 316 + USE io_files, ONLY : iunwfc, nwordwfc, iunigk 409 - USE io_files, ONLY : nwordwfc, iunwfc 411 + USE io_files, ONLY : nwordwfc, iunwfc, iunigk 427 CALL davcio (evc, 2*nwordwfc, iunwfc, ik - iks + 1, -1) 434 - USE io_files, ONLY : nwordwfc, iunwfc 435 + USE io_files, ONLY : nwordwfc, iunwfc, iunigk 452 CALL davcio (evc, 2*nwordwfc, iunwfc, ik - iks + 1, -1) 459 - USE io_files, ONLY : nwordwfc, iunwfc 460 + USE io_files, ONLY : nwordwfc, iunwfc, iunigk [all …]
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