1* 2* $Id$ 3* 4* **** common block for psp **** 5 integer prjtmp(2) 6 integer vl(2) 7 integer vnl(2) 8 integer Gijl(2) 9 integer zv(2),amass(2),rc(2) 10 integer lmmax(2),lmax(2),locp(2),nmax(2) 11 integer nprj(2),n_projector(2),l_projector(2),m_projector(2) 12 integer npsp 13 integer psp_type(2) 14 15 integer nkatmx,lmmax_max,lmax_max,nmax_max 16 integer gij_stride,vnl_stride,nprj_max 17 parameter (nkatmx=50,lmax_max=4,lmmax_max=25,nmax_max=3) 18 parameter (gij_stride=(lmax_max+1)*nmax_max*nmax_max) 19 parameter (vnl_stride=lmmax_max*nmax_max) 20 character*2 atom(nkatmx) 21 character*80 comment(nkatmx) 22 common / cpsp_block / prjtmp,vl,vnl,Gijl,zv,amass,rc, 23 > lmmax,lmax,locp,nmax, 24 > nprj,n_projector,l_projector,m_projector, 25 > psp_type,npsp,nprj_max, 26 > comment,atom 27 28* **** common block for psp stress **** 29 integer dvl(2) 30 integer dvnl(2) 31 common / cpsp2_block / dvl,dvnl 32 33 34* **** common block for psp relativistic **** 35 logical do_spin_orbit 36 integer vnlso(2) 37 integer Kijl(2) 38 39 integer jmmax_max,vso_shift,kij_stride,vso_stride 40 parameter (jmmax_max=40) 41 !parameter (kij_stride=(jmmax_max)) 42 parameter (kij_stride=(lmax_max+1)*nmax_max*nmax_max) 43 parameter (vso_stride=2*jmmax_max) 44 parameter (vso_shift=jmmax_max) 45 common / cpsp_rel_block / vnlso,Kijl, 46 > do_spin_orbit 47 48* **** common block for psp relativistic stress **** 49 integer dvso(2) 50 common / cpsp2_rel_block / dvso 51 52 53 54* **** common block for cpspspin **** 55 logical pspspin 56 integer pspspin_upl,pspspin_downl 57 integer pspspin_upions(2),pspspin_downions(2) 58 real*8 pspspin_upscale,pspspin_downscale 59 common / cpspspin_block / pspspin_upscale,pspspin_downscale, 60 > pspspin_upions, pspspin_downions, 61 > pspspin_upl, pspspin_downl, 62 > pspspin 63 64* **** common block for cpsputerm **** 65 logical psputerm 66 integer pspnuterms 67 integer psputerm_vcount,psputerm_ld_count 68 integer psputerm_l(2) 69 integer psputerm_uscale(2) 70 integer psputerm_jscale(2) 71 integer psputerm_ions(2) 72 integer psputerm_vstart(2) 73 integer psputerm_vmmmm(2) 74 integer psputerm_ld_start(2) 75 integer psputerm_ld(2) 76 real*8 psputerm_edftu,psputerm_pdftu 77 common / cpsputerm_block / psputerm_edftu,psputerm_pdftu, 78 > psputerm_uscale,psputerm_jscale, 79 > psputerm_l,psputerm_ions, 80 > psputerm_vmmmm,psputerm_vstart, 81 > psputerm_ld,psputerm_ld_start, 82 > psputerm_ld_count, 83 > psputerm_vcount,pspnuterms,psputerm 84 85