Skip to content
Snippets Groups Projects
Commit fa020124 authored by kamischi's avatar kamischi
Browse files

cleanup

parent 14557d2c
Branches
No related tags found
No related merge requests found
Expand all Hide whitespace changes
Inline Side-by-side
.gitignore
+ 2
− 0
View file @ fa020124
......@@ -2,3 +2,5 @@
.DS_Store
*.gcno
*.gcda
source/f90/bosou
source/f90/eelsou
source/f90/boson.f90.gcov deleted 100644 → 0
+ 0
− 89
View file @ 14557d2c
-: 0:Source:boson.f90
-: 0:Graph:bosonf90-boson.gcno
-: 0:Data:bosonf90-boson.gcda
-: 0:Runs:6
6*: 1:program boson
-: 2:
-: 3:! *******************************************************************
-: 4:! * *
-: 5:! * perform the quantum-mechanical complement to the classical step *
-: 6:! * of the dielectric theory of eels in specular geometry using a *
-: 7:! * suitable thermodynamical average of the quantized surface *
-: 8:! * harmonic oscillators *
-: 9:! * *
-: 10:! *******************************************************************
-: 11:
-: 12: implicit none
-: 13:
-: 14: integer, parameter :: mmax=14, nmax=2**mmax
-: 15: double precision :: asym, emax, emin, gauss, t, width, wmin, wmax, y
-: 16: double precision :: p2(nmax)
-: 17: integer :: i, np, ioStatus
-: 18: character (len = 72) :: comment(2)
6: 19: double precision, allocatable :: xout(:), yout(:)
-: 20: integer :: nout
-: 21:
-: 22:! *** read input parameters
-: 23:
6: 24: call change_working_dir()
6: 25: open(unit = 13, file = 'bosin')
-: 26:! target temperature (Kelvin)
6: 27: read(13, *) t
-: 28:! width of the instrumental response (cm**-1)
2: 29: read(13, *) width
-: 30:! fraction of gaussian for the instrumental response
2: 31: read(13, *) gauss
-: 32:! asymmetry of the instrumental response
2: 33: read(13, *) asym
-: 34:! lower and upper energy losses for this computation (cm**-1)
2: 35: read(13, *) emin
2: 36: read(13, *) emax
2: 37: close(unit=13)
-: 38:
2: 39: write(*,*) 'program boson (September 2020)'
2: 40: write(*,'(a, f6.1, a, f7.2, a)') ' t =', t, ' K, width =', width, ' cm**-1'
2: 41: write(*,'(a, f5.2, a, f5.2)') ' gauss =', gauss, ', asym =', asym
2: 42: write(*,'(a, g11.4, a, g11.4, a)') ' energy losses from', emin, ' to', emax, ' cm**-1'
-: 43:
-: 44:! *** read the table of values of the classical loss spectrum
-: 45:
2: 46: open(unit = 12, file = 'eelsou')
2: 47: read(12, '(a48)') comment(1)
1: 48: read(12, '(a72)') comment(2)
1: 49: np = 0
326: 50: do
327: 51: read(12, *, IOSTAT = ioStatus) wmax, y
327: 52: if (ioStatus /= 0) exit
326*: 53: if (wmax < 0.0d0) cycle
326: 54: np = np + 1
326*: 55: p2(np) = y
326: 56: if (np == 1) wmin = wmax
326: 57: if (np < nmax) cycle
-: 58: enddo
1: 59: close(unit = 12)
-: 60:
1*: 61: if (np <= 0) stop '*** no input values for pcl ***'
-: 62:
1: 63: write(*,*) comment(2)
1: 64: write(*,'(a, i6, a, g15.7, a, g15.7)') ' read', np, ' values of pcl from', wmin, ' to', wmax
-: 65:
-: 66:! length calculation for xout, yout.
-: 67:!
1: 68: nout = 2**14
1*: 69: allocate (xout(nout))
1*: 70: allocate (yout(nout))
-: 71:
1*: 72: call doboson(t, width, gauss, asym, emin, emax, wmin, wmax, np, p2, xout, yout, nout)
-: 73:
1: 74: open(unit = 14, file = 'bosou')
1: 75: write(14, '(a, a, f6.1, a, f5.2)') comment(1), 'T =', t, ' GAUSS =', gauss
1: 76: write(14, *) comment(2)
852*: 77: do i = 1, nout
852*: 78: write(14, '(2e15.7)') xout(i), yout(i)
-: 79: end do
1: 80: close(unit = 14)
1: 81: write(*,*) nout, ' values written on disk'
-: 82:
1*: 83: deallocate (xout, yout)
1: 84: stop
7*: 85:end program boson
source/f90/bosou deleted 100644 → 0
+ 0
− 853
View file @ 14557d2c
This diff is collapsed.
source/f90/eelsou deleted 100644 → 0
+ 0
− 328
View file @ 14557d2c
e0 = 4.00 theta = 60.0 phia = 1.80 phib = 1.80
WFW: MnO layer on metal
0.5000000E+02 0.3941008E-04
0.5200000E+02 0.3978564E-04
0.5400000E+02 0.4013988E-04
0.5600000E+02 0.4047467E-04
0.5800000E+02 0.4079173E-04
0.6000000E+02 0.4109263E-04
0.6200000E+02 0.4137881E-04
0.6400000E+02 0.4108544E-04
0.6600000E+02 0.4191212E-04
0.6800000E+02 0.4216160E-04
0.7000000E+02 0.4240101E-04
0.7200000E+02 0.4263132E-04
0.7400000E+02 0.4285338E-04
0.7600000E+02 0.4306802E-04
0.7800000E+02 0.4327598E-04
0.8000000E+02 0.4347794E-04
0.8200000E+02 0.4367455E-04
0.8400000E+02 0.4386642E-04
0.8600000E+02 0.4405408E-04
0.8800000E+02 0.4423806E-04
0.9000000E+02 0.4441883E-04
0.9200000E+02 0.4459685E-04
0.9400000E+02 0.4477229E-04
0.9600000E+02 0.4494627E-04
0.9800000E+02 0.4511842E-04
0.1000000E+03 0.4528934E-04
0.1020000E+03 0.4545934E-04
0.1040000E+03 0.4562872E-04
0.1060000E+03 0.4579779E-04
0.1080000E+03 0.4596679E-04
0.1100000E+03 0.4613600E-04
0.1120000E+03 0.4630565E-04
0.1140000E+03 0.4647599E-04
0.1160000E+03 0.4664719E-04
0.1180000E+03 0.4681947E-04
0.1200000E+03 0.4699305E-04
0.1220000E+03 0.4716812E-04
0.1240000E+03 0.4734484E-04
0.1260000E+03 0.4752340E-04
0.1280000E+03 0.4770396E-04
0.1300000E+03 0.4788669E-04
0.1320000E+03 0.4807173E-04
0.1340000E+03 0.4825916E-04
0.1360000E+03 0.4844938E-04
0.1380000E+03 0.4864227E-04
0.1400000E+03 0.4883806E-04
0.1420000E+03 0.4903689E-04
0.1440000E+03 0.4923889E-04
0.1460000E+03 0.4944419E-04
0.1480000E+03 0.4965293E-04
0.1500000E+03 0.4986523E-04
0.1520000E+03 0.5008121E-04
0.1540000E+03 0.5030101E-04
0.1560000E+03 0.5052510E-04
0.1580000E+03 0.5075291E-04
0.1600000E+03 0.5098491E-04
0.1620000E+03 0.5122123E-04
0.1640000E+03 0.5146199E-04
0.1660000E+03 0.5170731E-04
0.1680000E+03 0.5195733E-04
0.1700000E+03 0.5221217E-04
0.1720000E+03 0.5247162E-04
0.1740000E+03 0.5273652E-04
0.1760000E+03 0.5300665E-04
0.1780000E+03 0.5328235E-04
0.1800000E+03 0.5356326E-04
0.1820000E+03 0.5384979E-04
0.1840000E+03 0.5414208E-04
0.1860000E+03 0.5444027E-04
0.1880000E+03 0.5474451E-04
0.1900000E+03 0.5505495E-04
0.1920000E+03 0.5537174E-04
0.1940000E+03 0.5569504E-04
0.1960000E+03 0.5602500E-04
0.1980000E+03 0.5636178E-04
0.2000000E+03 0.5670564E-04
0.2020000E+03 0.5705658E-04
0.2040000E+03 0.5741486E-04
0.2060000E+03 0.5778066E-04
0.2080000E+03 0.5815417E-04
0.2100000E+03 0.5853558E-04
0.2120000E+03 0.5892508E-04
0.2140000E+03 0.5932288E-04
0.2160000E+03 0.5972919E-04
0.2180000E+03 0.6014421E-04
0.2200000E+03 0.6056817E-04
0.2220000E+03 0.6100129E-04
0.2240000E+03 0.6144381E-04
0.2260000E+03 0.6189598E-04
0.2280000E+03 0.6235803E-04
0.2300000E+03 0.6283023E-04
0.2320000E+03 0.6331285E-04
0.2340000E+03 0.6380615E-04
0.2360000E+03 0.6431043E-04
0.2380000E+03 0.6482597E-04
0.2400000E+03 0.6535308E-04
0.2420000E+03 0.6589204E-04
0.2440000E+03 0.6644328E-04
0.2460000E+03 0.6700703E-04
0.2480000E+03 0.6758367E-04
0.2500000E+03 0.6817357E-04
0.2520000E+03 0.6877710E-04
0.2540000E+03 0.6939465E-04
0.2560000E+03 0.7002661E-04
0.2580000E+03 0.7067340E-04
0.2600000E+03 0.7133544E-04
0.2620000E+03 0.7201319E-04
0.2640000E+03 0.7270710E-04
0.2660000E+03 0.7341769E-04
0.2680000E+03 0.7414551E-04
0.2700000E+03 0.7489117E-04
0.2720000E+03 0.7565519E-04
0.2740000E+03 0.7643808E-04
0.2760000E+03 0.7724036E-04
0.2780000E+03 0.7806264E-04
0.2800000E+03 0.7890556E-04
0.2820000E+03 0.7976980E-04
0.2840000E+03 0.8065605E-04
0.2860000E+03 0.8156506E-04
0.2880000E+03 0.8249757E-04
0.2900000E+03 0.8345437E-04
0.2920000E+03 0.8443630E-04
0.2940000E+03 0.8544420E-04
0.2960000E+03 0.8647898E-04
0.2980000E+03 0.8754097E-04
0.3000000E+03 0.8863237E-04
0.3020000E+03 0.8975359E-04
0.3040000E+03 0.9090571E-04
0.3060000E+03 0.9208985E-04
0.3080000E+03 0.9330717E-04
0.3100000E+03 0.9455890E-04
0.3120000E+03 0.9584633E-04
0.3140000E+03 0.9717080E-04
0.3160000E+03 0.9853388E-04
0.3180000E+03 0.9993669E-04
0.3200000E+03 0.1013810E-03
0.3220000E+03 0.1028684E-03
0.3240000E+03 0.1044008E-03
0.3260000E+03 0.1059797E-03
0.3280000E+03 0.1076073E-03
0.3300000E+03 0.1092856E-03
0.3320000E+03 0.1110164E-03
0.3340000E+03 0.1128022E-03
0.3360000E+03 0.1146452E-03
0.3380000E+03 0.1165479E-03
0.3400000E+03 0.1185130E-03
0.3420000E+03 0.1205431E-03
0.3440000E+03 0.1226413E-03
0.3460000E+03 0.1248106E-03
0.3480000E+03 0.1270542E-03
0.3500000E+03 0.1293757E-03
0.3520000E+03 0.1317786E-03
0.3540000E+03 0.1342669E-03
0.3560000E+03 0.1368447E-03
0.3580000E+03 0.1395163E-03
0.3600000E+03 0.1422865E-03
0.3620000E+03 0.1451601E-03
0.3640000E+03 0.1481424E-03
0.3660000E+03 0.1512391E-03
0.3680000E+03 0.1544560E-03
0.3700000E+03 0.1577997E-03
0.3720000E+03 0.1612769E-03
0.3740000E+03 0.1648949E-03
0.3760000E+03 0.1686615E-03
0.3780000E+03 0.1725851E-03
0.3800000E+03 0.1766746E-03
0.3820000E+03 0.1809396E-03
0.3840000E+03 0.1853905E-03
0.3860000E+03 0.1900384E-03
0.3880000E+03 0.1948952E-03
0.3900000E+03 0.1999738E-03
0.3920000E+03 0.2052881E-03
0.3940000E+03 0.2108531E-03
0.3960000E+03 0.2166852E-03
0.3980000E+03 0.2228019E-03
0.4000000E+03 0.2292224E-03
0.4020000E+03 0.2359673E-03
0.4040000E+03 0.2430592E-03
0.4060000E+03 0.2505228E-03
0.4080000E+03 0.2583848E-03
0.4100000E+03 0.2666745E-03
0.4120000E+03 0.2754241E-03
0.4140000E+03 0.2846686E-03
0.4160000E+03 0.2944466E-03
0.4180000E+03 0.3048006E-03
0.4200000E+03 0.3157775E-03
0.4220000E+03 0.3274288E-03
0.4240000E+03 0.3398119E-03
0.4260000E+03 0.3529902E-03
0.4280000E+03 0.3670341E-03
0.4300000E+03 0.3820223E-03
0.4320000E+03 0.3980424E-03
0.4340000E+03 0.4151927E-03
0.4360000E+03 0.4335834E-03
0.4380000E+03 0.4533387E-03
0.4400000E+03 0.4745985E-03
0.4420000E+03 0.4975215E-03
0.4440000E+03 0.5222878E-03
0.4460000E+03 0.5491027E-03
0.4480000E+03 0.5782011E-03
0.4500000E+03 0.6098524E-03
0.4520000E+03 0.6443672E-03
0.4540000E+03 0.6821050E-03
0.4560000E+03 0.7234834E-03
0.4580000E+03 0.7689902E-03
0.4600000E+03 0.8191977E-03
0.4620000E+03 0.8747809E-03
0.4640000E+03 0.9365404E-03
0.4660000E+03 0.1005431E-02
0.4680000E+03 0.1082601E-02
0.4700000E+03 0.1169436E-02
0.4720000E+03 0.1267624E-02
0.4740000E+03 0.1379238E-02
0.4760000E+03 0.1506843E-02
0.4780000E+03 0.1653641E-02
0.4800000E+03 0.1823674E-02
0.4820000E+03 0.2022093E-02
0.4840000E+03 0.2255541E-02
0.4860000E+03 0.2532695E-02
0.4880000E+03 0.2865045E-02
0.4900000E+03 0.3268032E-02
0.4920000E+03 0.3762748E-02
0.4940000E+03 0.4378508E-02
0.4960000E+03 0.5156827E-02
0.4980000E+03 0.6157643E-02
0.5000000E+03 0.7469191E-02
0.5020000E+03 0.9223619E-02
0.5040000E+03 0.1162098E-01
0.5060000E+03 0.1496223E-01
0.5080000E+03 0.1967779E-01
0.5100000E+03 0.2627908E-01
0.5120000E+03 0.3497838E-01
0.5140000E+03 0.4448802E-01
0.5160000E+03 0.5057913E-01
0.5180000E+03 0.4873470E-01
0.5200000E+03 0.4036501E-01
0.5220000E+03 0.3068666E-01
0.5240000E+03 0.2272070E-01
0.5260000E+03 0.1692023E-01
0.5280000E+03 0.1283520E-01
0.5300000E+03 0.9950658E-02
0.5320000E+03 0.7879717E-02
0.5340000E+03 0.6360611E-02
0.5360000E+03 0.5222741E-02
0.5380000E+03 0.4353299E-02
0.5400000E+03 0.3676186E-02
0.5420000E+03 0.3140392E-02
0.5440000E+03 0.2709948E-02
0.5460000E+03 0.2359504E-02
0.5480000E+03 0.2070778E-02
0.5500000E+03 0.1830347E-02
0.5520000E+03 0.1628190E-02
0.5540000E+03 0.1456724E-02
0.5560000E+03 0.1310130E-02
0.5580000E+03 0.1183891E-02
0.5600000E+03 0.1074460E-02
0.5620000E+03 0.9790217E-03
0.5640000E+03 0.8953225E-03
0.5660000E+03 0.8215399E-03
0.5680000E+03 0.7561889E-03
0.5700000E+03 0.6980498E-03
0.5720000E+03 0.6461144E-03
0.5740000E+03 0.5995427E-03
0.5760000E+03 0.5576316E-03
0.5780000E+03 0.5197882E-03
0.5800000E+03 0.4855105E-03
0.5820000E+03 0.4543708E-03
0.5840000E+03 0.4260033E-03
0.5860000E+03 0.4000936E-03
0.5880000E+03 0.3763701E-03
0.5900000E+03 0.3545976E-03
0.5920000E+03 0.3345713E-03
0.5940000E+03 0.3161125E-03
0.5960000E+03 0.2990646E-03
0.5980000E+03 0.2832897E-03
0.6000000E+03 0.2686665E-03
0.6020000E+03 0.2550875E-03
0.6040000E+03 0.2424575E-03
0.6060000E+03 0.2306916E-03
0.6080000E+03 0.2197144E-03
0.6100000E+03 0.2094581E-03
0.6120000E+03 0.1998624E-03
0.6140000E+03 0.1908727E-03
0.6160000E+03 0.1824402E-03
0.6180000E+03 0.1745206E-03
0.6200000E+03 0.1670742E-03
0.6220000E+03 0.1600647E-03
0.6240000E+03 0.1534595E-03
0.6260000E+03 0.1472285E-03
0.6280000E+03 0.1413449E-03
0.6300000E+03 0.1357838E-03
0.6320000E+03 0.1305226E-03
0.6340000E+03 0.1255406E-03
0.6360000E+03 0.1208189E-03
0.6380000E+03 0.1163402E-03
0.6400000E+03 0.1120885E-03
0.6420000E+03 0.1080490E-03
0.6440000E+03 0.1042083E-03
0.6460000E+03 0.1005538E-03
0.6480000E+03 0.9707402E-04
0.6500000E+03 0.9375831E-04
0.6520000E+03 0.9059679E-04
0.6540000E+03 0.8758031E-04
0.6560000E+03 0.8470038E-04
0.6580000E+03 0.8194911E-04
0.6600000E+03 0.7931918E-04
0.6620000E+03 0.7680376E-04
0.6640000E+03 0.7439649E-04
0.6660000E+03 0.7209145E-04
0.6680000E+03 0.6988311E-04
0.6700000E+03 0.6776630E-04
0.6720000E+03 0.6573619E-04
0.6740000E+03 0.6378826E-04
0.6760000E+03 0.6191827E-04
0.6780000E+03 0.6012225E-04
0.6800000E+03 0.5839648E-04
0.6820000E+03 0.5673747E-04
0.6840000E+03 0.5514193E-04
0.6860000E+03 0.5360677E-04
0.6880000E+03 0.5212910E-04
0.6900000E+03 0.5070617E-04
0.6920000E+03 0.4933540E-04
0.6940000E+03 0.4801438E-04
0.6960000E+03 0.4674080E-04
0.6980000E+03 0.4551251E-04
0.7000000E+03 0.4432745E-04
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Please register or to comment