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Searched refs:notconv (Results 1 – 18 of 18) sorted by relevance

/dports/science/quantum-espresso/q-e-qe-6.7.0/PW/src/
H A Dc_bands.f90197 INTEGER :: npw, ig, dav_iter, ntry, notconv, nhpsi local
265 IF ( notconv > MAX( 5, nbnd / 4 ) ) THEN
269 ELSEIF ( notconv > 0 ) THEN
271 WRITE( stdout, '(5X,"c_bands: ",I2, " eigenvalues not converged")' ) notconv
325 ethr, max_cg_iter, .NOT. lscf, notconv, cg_iter )
378 et(1,ik), btype(1,ik), notconv, lrot, dav_iter, nhpsi )
385 et(1,ik), btype(1,ik), notconv, lrot, dav_iter, nhpsi )
490 ethr, max_cg_iter, .NOT. lscf, notconv, cg_iter )
551 et(1,ik), btype(1,ik), notconv, lrot, dav_iter, nhpsi )
588 ( ( .NOT. lscf .AND. ( notconv > 0 ) ) .OR. &
[all …]
/dports/science/quantum-espresso/q-e-qe-6.7.0/KS_Solvers/ParO/
H A Dparo_gamma_new.f9043 npwx, npw, nbnd, evc, eig, btype, ethr, notconv, nhpsi ) argument
64 INTEGER, INTENT(OUT) :: notconv, nhpsi local
131 notconv = nbnd - nconv ! number of needed roots
132 nextra = nactive - notconv ! number of extra vectors
139 notconv = nbnd - nconv ! number of needed roots
140 nextra = max ( nactive - notconv, 0 ) ! number of extra vectors, if any
209 … = ABS(ew(1:ntrust)-eig(1:ntrust)).LT.ethr ; nconv = COUNT(conv(1:ntrust)) ; notconv = nbnd - nconv
H A Dparo_k.f9043 npwx, npw, nbnd, npol, evc, eig, btype, ethr, notconv, nhpsi ) argument
63 INTEGER, INTENT(OUT) :: notconv, nhpsi local
105 notconv = nbnd - nconv ! number of needed roots
106 nextra = nactive - notconv ! number of extra vectors
153 …conv(1:nbnd) = ABS(ew(1:nbnd)-eig(1:nbnd)).LT.ethr ; nconv = COUNT(conv(:)) ; notconv = nbnd - nco…
H A Dparo_gamma.f9043 npwx, npw, nbnd, evc, eig, btype, ethr, notconv, nhpsi ) argument
63 INTEGER, INTENT(OUT) :: notconv, nhpsi local
106 notconv = nbnd - nconv ! number of needed roots
107 nextra = nactive - notconv ! number of extra vectors
155 …conv(1:nbnd) = ABS(ew(1:nbnd)-eig(1:nbnd)).LT.ethr ; nconv = COUNT(conv(:)) ; notconv = nbnd - nco…
H A Dparo_k_new.f9043 npwx, npw, nbnd, npol, evc, eig, btype, ethr, notconv, nhpsi ) argument
64 INTEGER, INTENT(OUT) :: notconv, nhpsi local
131 notconv = nbnd - nconv ! number of needed roots
132 nextra = nactive - notconv ! number of extra vectors
139 notconv = nbnd - nconv ! number of needed roots
140 nextra = max ( nactive - notconv, 0 ) ! number of extra vectors, if any
208 … = ABS(ew(1:ntrust)-eig(1:ntrust)).LT.ethr ; nconv = COUNT(conv(1:ntrust)) ; notconv = nbnd - nconv
/dports/science/quantum-espresso/q-e-qe-6.7.0/PHonon/PH/
H A Dhdiag.f9036 INTEGER :: ig, ntry, notconv local
72 max_iter, .true., notconv, cg_iter)
76 if (ntry.le.5.and.notconv.gt.0) goto 10
/dports/japanese/libslang/slang-1.4.5jp2/src/
H A Dslkanji.c455 void notconv(char *src, char *dst) in notconv() function
462 {{notconv, notconv, notconv, notconv},
463 {notconv, notconv, euctojis, euctosjis},
464 {notconv, jistoeuc, notconv, jistosjis},
465 {notconv, sjistoeuc, sjistojis, notconv}};
1150 if (kcodeto == notconv) return _SLsys_getkey(); in kSLsys_getkey()
1300 MAKE_INTRINSIC_SS("sjis_to_slang", notconv, SLANG_VOID_TYPE),
1303 MAKE_INTRINSIC_SS("to_sjis", notconv, SLANG_VOID_TYPE),
H A Dslkanji.h73 extern void notconv(char *, char *);
/dports/cad/feappv/feappv-4.1i/program/
H A Dint1dg.f174 logical notconv local
183 notconv = .true.
184 do while(notconv .and. iter.lt.50)
190 notconv = .false.
/dports/science/quantum-espresso/q-e-qe-6.7.0/KS_Solvers/CG/
H A Dccgdiagg.f9016 ethr, maxter, reorder, notconv, avg_iter ) argument
45 INTEGER, INTENT(OUT) :: notconv local
97 notconv = 0
337 IF ( iter >= maxter ) notconv = notconv + 1
H A Drcgdiagg.f9012 ethr, maxter, reorder, notconv, avg_iter ) argument
41 INTEGER, INTENT(OUT) :: notconv local
85 notconv = 0
346 IF ( iter >= maxter ) notconv = notconv + 1
/dports/japanese/jed/jed-B0.99-8__J067/src/
H A Dkanji.c468 notconv(buf, dst);
470 notconv(buf, dst);
526 notconv(buf, dst);
552 notconv(buf, dst);
556 notconv(buf, dst);
/dports/science/quantum-espresso/q-e-qe-6.7.0/GWW/pw4gww/
H A Ddiago_cg.f9059 INTEGER :: notconv local
89 notconv = 0
482 IF ( iter >= maxter ) notconv = notconv + 1
H A Ddiago_cg_g.f9060 INTEGER :: notconv local
90 notconv = 0
434 IF ( iter >= maxter ) notconv = notconv + 1
H A Do_bands.f9049 INTEGER :: notconv local
144 … ethr, 100, .true., notconv, avg_iter, numv, v_states,hdiag,ptype,fcw_number,fcw_state,fcw_mat)
146 if(notconv <= 0) exit
159 if(notconv <= 0) exit
H A Do_1psi.f9013 ethr, maxter, reorder, notconv, avg_iter ,& argument
39 INTEGER, INTENT(OUT) :: notconv local
88 notconv = 0
349 IF ( iter >= maxter ) notconv = notconv + 1
/dports/science/quantum-espresso/q-e-qe-6.7.0/KS_Solvers/PPCG/
H A Dppcg_k.f904 ethr, maxter, notconv, avg_iter, sbsize, rr_step, scf_iter) argument
35 INTEGER, INTENT(OUT) :: notconv local
756 notconv = 0 ! nact
760 WRITE(stdout, '("avg_iter: ", f6.2, ", notconv: ", I5)') avg_iter, notconv
H A Dppcg_gamma.f904 ethr, maxter, notconv, avg_iter, sbsize, rr_step, scf_iter) argument
38 INTEGER, INTENT(OUT) :: notconv local
792 notconv = 0 ! nact
796 WRITE(stdout, '("avg_iter: ", f6.2, ", notconv: ", I5)') avg_iter, notconv