| /dports/science/siesta/siesta-4.1.5/Util/Eig2DOS/ |
| H A D | Eig2DOS.f90 | 44 integer :: nk_kpoints, ik_read, nspin_blocks variable
159 nspin_blocks = 1
166 nspin_blocks = nspin
185 allocate(eig(nband,nspin_blocks))
186 allocate(DOS(npts_energy,nspin_blocks))
213 read(1,*) ika, ((eig(ib,is), ib = 1, nband), is = 1, nspin_blocks)
214 emin_file = min(emin_file,minval(eig(min_band:max_band,1:nspin_blocks)))
246 read(1,*) ika, ((eig(ib,is), ib = 1, nband), is = 1, nspin_blocks)
254 do is = 1, nspin_blocks
277 do is = 1, nspin_blocks
[all …]
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| /dports/science/siesta/siesta-4.1.5/Util/WFS/ |
| H A D | readwfx.f90 | 36 integer :: io, wfs_u, nk, nspin_blocks, ik, ispin, is, idummy, & variable
130 nspin_blocks = 1
132 nspin_blocks = wfs_spin_flag
145 do is=1,nspin_blocks
191 nspin_blocks = 1
194 nspin_blocks = nspin_flag
222 '(non-collinear) = ', nspin_blocks
224 write(io,'(a,2x,i6)') 'Nr of Spins blocks = ',nspin_blocks
230 spin_blocks: do ispin = 1,nspin_blocks
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| /dports/science/siesta/siesta-4.1.5/Util/COOP/ |
| H A D | fat.f90 | 53 integer :: ib, nbands, nspin_blocks variable
136 nspin_blocks = 1
138 nspin_blocks = nsp
142 do is=1,nspin_blocks
277 write(stt_u,"(/'SPIN (spin-orbit): ',i2)") nspin_blocks
279 write(stt_u,"(/'SPIN (non-coll): ',i2)") nspin_blocks
281 write(stt_u,"(/'SPIN: ',i2)") nspin_blocks
355 allocate(eig(nbands,nspin_blocks), fat(nbands,nspin_blocks))
454 write(fat_u,"(3i6)") nbands, nspin_blocks, nkp
460 do is=1,nspin_blocks
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| H A D | mprop.f90 | 22 integer :: imin, imax, wfs_spin_flag, nspin_blocks variable
150 nspin_blocks = 1
152 nspin_blocks = wfs_spin_flag
154 print *, "NSPIN BLOCKS: ", nspin_blocks
167 do is=1,nspin_blocks
268 ados(:,1:nspin_blocks) = 0.0_dp
280 do is=1,nspin_blocks
510 allocate (coop_vals(npts_energy,nspin_blocks,ncb))
511 allocate (cohp_vals(npts_energy,nspin_blocks,ncb))
516 allocate (pdos_vals(npts_energy,nspin_blocks,ncb))
[all …]
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| H A D | dm_creator.F90 | 22 integer :: nwfmx, nspin_blocks variable
87 nspin_blocks = 1
91 nspin_blocks = 1
94 nspin_blocks = nsp
96 print *, "NSPIN BLOCKS: ", nspin_blocks
103 do is=1,nspin_blocks
268 do is=1,nspin_blocks
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| H A D | spin_texture.f90 | 23 integer :: nwfmx, nwfmin, nspin_blocks variable
115 nspin_blocks = 1
117 nspin_blocks = nsp
119 if (debug) print *, "NSPIN BLOCKS: ", nspin_blocks
129 do is=1,nspin_blocks
344 do is=1,nspin_blocks
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| /dports/science/siesta/siesta-4.1.5/Util/STM/ol-stm/Src/ |
| H A D | mainstm.F | 67 integer :: nspin_blocks
162 nspin_blocks = nspin
163 if (non_coll) nspin_blocks = 1
198 $ nspin_blocks, non_coll,
207 $ nspin_blocks, non_coll,
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| H A D | sts.f | 31 SUBROUTINE STS( NA, NO, NO_U, MAXNA, nspin,nspin_blocks,non_coll, argument
59 . nspin, nspin_blocks, MAXNA, NK,
237 do ispin = 1, nspin_blocks
419 if ((nspin_blocks == 1) .and. (.not. non_coll)) then
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| H A D | stm.f | 9 SUBROUTINE STM( NA, NO, NO_U, MAXNA, nspin,nspin_blocks,non_coll, argument
37 . nspin, nspin_blocks, MAXNA, NK,
202 do ispin = 1, nspin_blocks
394 if ((nspin_blocks == 1) .and. (.not. non_coll)) then
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| /dports/science/siesta/siesta-4.1.5/Util/Denchar/Src/ |
| H A D | denchar.f | 69 integer :: nspin_wfsx, nspin_blocks, wf_unit
268 nspin_blocks = nspin_wfsx
269 if (non_coll) nspin_blocks = 1
301 CALL WAVOFR( NA_S, NO_S, NO_U, MAXNA, NSPIN_wfsx, nspin_blocks,
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| H A D | wavofr.f | 9 SUBROUTINE WAVOFR( NA, NO, no_u, MAXNA, NSPIN, nspin_blocks, argument
35 . IDIMEN, NSPIN, nspin_blocks, MAXNA, NK,
259 spin_loop: do ispin = 1, nspin_blocks
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