mod_wrldos Module
- People who wrote it
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- 126 statements
- Source File
Write density of states to file. Both complex DOS and the real part of the DOS are printed to file in an l-decomposed fashion.
Uses
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- mod_datatypes
Subroutines
public subroutine wrldos(den, ez, wez, lmaxd1, iemxd, npotd, ititle, efermi, e1, e2, alatc, tk, nacls1, nspinpot, natyp, conc, ielast, intervx, intervy, intervz, dostot)
- License
- Category
- physical-observables, KKRhost
W r i t e
d e n s i t y
o f
s t a t e s
t o
f i l e
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| complex(kind=dp), | intent(in), | dimension(0:lmaxd1, ielast, npotd) | :: | den | ||
| complex(kind=dp), | intent(in), | dimension(iemxd) | :: | ez | ||
| complex(kind=dp), | intent(in), | dimension(iemxd) | :: | wez | ||
| integer, | intent(in) | :: | lmaxd1 |
lmax+1 |
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| integer, | intent(in) | :: | iemxd |
Dimension for energy-dependent arrays |
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| integer, | intent(in) | :: | npotd |
(2(KREL+KORBIT)+(1-(KREL+KORBIT))NSPIND)*NATYP) |
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| integer, | intent(in), | dimension(20, npotd) | :: | ititle | ||
| real(kind=dp), | intent(in) | :: | efermi |
Fermi energy |
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| real(kind=dp), | intent(in) | :: | e1 |
Lower value (in Ryd) for the energy contour |
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| real(kind=dp), | intent(in) | :: | e2 |
Maximum value (in Ryd) for the DOS calculation Controls also [NPT2] in some cases |
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| real(kind=dp), | intent(in) | :: | alatc |
Lattice constant in a.u. |
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| real(kind=dp), | intent(in) | :: | tk |
Temperature |
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| integer, | intent(in) | :: | nacls1 | |||
| integer, | intent(in) | :: | nspinpot |
krel2 + (1-krel)nspin |
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| integer, | intent(in) | :: | natyp |
Number of kinds of atoms in unit cell |
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| real(kind=dp), | intent(in), | dimension(*) | :: | conc |
Concentration of a given atom |
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| integer, | intent(in) | :: | ielast | |||
| integer, | intent(in) | :: | intervx |
Number of intervals in x-direction for k-net in IB of the BZ |
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| integer, | intent(in) | :: | intervy |
Number of intervals in y-direction for k-net in IB of the BZ |
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| integer, | intent(in) | :: | intervz |
Number of intervals in z-direction for k-net in IB of the BZ |
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| real(kind=dp), | intent(inout), | dimension(0:lmaxd1, 2) | :: | dostot |