
[[# gw]]
+ Element:##blue| gw##
  
  G0W0 calculation setup.

[[table ]]
[[row]]
 [[cell style=" vertical-align:top;" ]] **contains:** [[/cell]] [[cell]]  
[[span class="elementlink"]]**{{[#freqgrid freqgrid]}}**[[/span]] (optional)  
[[span class="elementlink"]]**{{[#selfenergy selfenergy]}}**[[/span]] (optional)  
[[span class="elementlink"]]**{{[#mixbasis mixbasis]}}**[[/span]] (optional)  
[[span class="elementlink"]]**{{[#barecoul barecoul]}}**[[/span]] (optional)  
 [[/cell]][[/row]][[row]] [[cell]] **XPath:** [[/cell]][[cell]] {{[[[ref:/input|/input]]]/[#gw gw] }}[[/cell]] [[/row]]
  
[[/table]]
  
          This element allows for specification of the following attributes:  [[span class="attributelink"]]**{{[#attgwaddDeltax addDeltax]}}**[[/span]], [[span class="attributelink"]]**{{[#attgwat1 at1]}}**[[/span]], [[span class="attributelink"]]**{{[#attgwat2 at2]}}**[[/span]], [[span class="attributelink"]]**{{[#attgwbzconv bzconv]}}**[[/span]], [[span class="attributelink"]]**{{[#attgwcoreflag coreflag]}}**[[/span]], [[span class="attributelink"]]**{{[#attgwdebug debug]}}**[[/span]], [[span class="attributelink"]]**{{[#attgwibgw ibgw]}}**[[/span]], [[span class="attributelink"]]**{{[#attgwibmax ibmax]}}**[[/span]], [[span class="attributelink"]]**{{[#attgwibmax2 ibmax2]}}**[[/span]], [[span class="attributelink"]]**{{[#attgwibmin ibmin]}}**[[/span]], [[span class="attributelink"]]**{{[#attgwibmin2 ibmin2]}}**[[/span]], [[span class="attributelink"]]**{{[#attgwigmax igmax]}}**[[/span]], [[span class="attributelink"]]**{{[#attgwigmin igmin]}}**[[/span]], [[span class="attributelink"]]**{{[#attgwiik iik]}}**[[/span]], [[span class="attributelink"]]**{{[#attgwjjk jjk]}}**[[/span]], [[span class="attributelink"]]**{{[#attgwnbgw nbgw]}}**[[/span]], [[span class="attributelink"]]**{{[#attgwnempty nempty]}}**[[/span]], [[span class="attributelink"]]**{{[#attgwngridq ngridq]}}**[[/span]], [[span class="attributelink"]]**{{[#attgwq0eps q0eps]}}**[[/span]], [[span class="attributelink"]]**{{[#attgwreduceq reduceq]}}**[[/span]], [[span class="attributelink"]]**{{[#attgwreps reps]}}**[[/span]], [[span class="attributelink"]]**{{[#attgwrpmat rpmat]}}**[[/span]], [[span class="attributelink"]]**{{[#attgwskipgnd skipgnd]}}**[[/span]], [[span class="attributelink"]]**{{[#attgwtaskname taskname]}}**[[/span]], [[span class="attributelink"]]**{{[#attgwvqloff vqloff]}}**[[/span]]
  [[# attaddDeltax]]
    [[# attgwaddDeltax]]
  
++ Attribute:  ##green|addDeltax##  
     Optional: add $\alpha$ * $\Delta_x$ to KS eigenvalues that are used in GW (for OEP and OEP-Hybrids only). 

[[table ]]
[[row]]
[[cell style=" vertical-align:top;" ]] **Type:** [[/cell]] [[cell]]boolean
 [[/cell]][[/row]]
[[row]] [[cell]] **Default:** [[/cell]][[cell]] {{"false"}} [[/cell]][[/row]]
 
[[row]] [[cell]] **Use:** [[/cell]][[cell]]  optional [[/cell]][[/row]]
 [[row]] [[cell]] **XPath:** [[/cell]][[cell]] {{[[[ref:/input|/input]]]/[#gw gw]/[#attgwaddDeltax @addDeltax] }}[[/cell]] [[/row]]
  
[[/table]]
  
  [[# attat1]]
    [[# attgwat1]]
  
++ Attribute:  ##green|at1##  
    First atom number

[[table ]]
[[row]]
[[cell style=" vertical-align:top;" ]] **Type:** [[/cell]] [[cell]]integer
 [[/cell]][[/row]]
[[row]] [[cell]] **Default:** [[/cell]][[cell]] {{"1"}} [[/cell]][[/row]]
 
[[row]] [[cell]] **Use:** [[/cell]][[cell]]  optional [[/cell]][[/row]]
 [[row]] [[cell]] **XPath:** [[/cell]][[cell]] {{[[[ref:/input|/input]]]/[#gw gw]/[#attgwat1 @at1] }}[[/cell]] [[/row]]
  
[[/table]]
  
  [[# attat2]]
    [[# attgwat2]]
  
++ Attribute:  ##green|at2##  
    Second atom number

[[table ]]
[[row]]
[[cell style=" vertical-align:top;" ]] **Type:** [[/cell]] [[cell]]integer
 [[/cell]][[/row]]
[[row]] [[cell]] **Default:** [[/cell]][[cell]] {{"1"}} [[/cell]][[/row]]
 
[[row]] [[cell]] **Use:** [[/cell]][[cell]]  optional [[/cell]][[/row]]
 [[row]] [[cell]] **XPath:** [[/cell]][[cell]] {{[[[ref:/input|/input]]]/[#gw gw]/[#attgwat2 @at2] }}[[/cell]] [[/row]]
  
[[/table]]
  
  [[# attbzconv]]
    [[# attgwbzconv]]
  
++ Attribute:  ##green|bzconv##  
     BZ convolution option: tetra - Use the linearized tetrahedron method; sum - Simple sum over k-points. 

[[table ]]
[[row]]
[[cell style=" vertical-align:top;" ]] **Type:** [[/cell]] [[cell]]string
 [[/cell]][[/row]]
[[row]] [[cell]] **Default:** [[/cell]][[cell]] {{"tetra"}} [[/cell]][[/row]]
 
[[row]] [[cell]] **Use:** [[/cell]][[cell]]  optional [[/cell]][[/row]]
 [[row]] [[cell]] **XPath:** [[/cell]][[cell]] {{[[[ref:/input|/input]]]/[#gw gw]/[#attgwbzconv @bzconv] }}[[/cell]] [[/row]]
  
[[/table]]
  
  [[# attcoreflag]]
    [[# attgwcoreflag]]
  
++ Attribute:  ##green|coreflag##  
     Option for treating core. Valid options are: all - All electron calculation; val - Valence electrons only; vab - Valence-only without cores in mixbasis; xal - All electron for exchange only. Default value: all. 

[[table ]]
[[row]]
 [[cell style=" vertical-align:top;" ]] **Type:** [[/cell]] [[cell]] **choose from:**  
 all  
 val  
 vab  
 xal  
 [[/cell]][[/row]]
[[row]] [[cell]] **Default:** [[/cell]][[cell]] {{"all"}} [[/cell]][[/row]]
 
[[row]] [[cell]] **Use:** [[/cell]][[cell]]  optional [[/cell]][[/row]]
 [[row]] [[cell]] **XPath:** [[/cell]][[cell]] {{[[[ref:/input|/input]]]/[#gw gw]/[#attgwcoreflag @coreflag] }}[[/cell]] [[/row]]
  
[[/table]]
  
  [[# attdebug]]
    [[# attgwdebug]]
  
++ Attribute:  ##green|debug##  
     Print debugging information. 

[[table ]]
[[row]]
[[cell style=" vertical-align:top;" ]] **Type:** [[/cell]] [[cell]]boolean
 [[/cell]][[/row]]
[[row]] [[cell]] **Default:** [[/cell]][[cell]] {{"false"}} [[/cell]][[/row]]
 
[[row]] [[cell]] **Use:** [[/cell]][[cell]]  optional [[/cell]][[/row]]
 [[row]] [[cell]] **XPath:** [[/cell]][[cell]] {{[[[ref:/input|/input]]]/[#gw gw]/[#attgwdebug @debug] }}[[/cell]] [[/row]]
  
[[/table]]
  
  [[# attibgw]]
    [[# attgwibgw]]
  
++ Attribute:  ##green|ibgw##  
    Lower band index for GW output.

[[table ]]
[[row]]
[[cell style=" vertical-align:top;" ]] **Type:** [[/cell]] [[cell]]integer
 [[/cell]][[/row]]
[[row]] [[cell]] **Default:** [[/cell]][[cell]] {{"1"}} [[/cell]][[/row]]
 
[[row]] [[cell]] **Use:** [[/cell]][[cell]]  optional [[/cell]][[/row]]
 [[row]] [[cell]] **XPath:** [[/cell]][[cell]] {{[[[ref:/input|/input]]]/[#gw gw]/[#attgwibgw @ibgw] }}[[/cell]] [[/row]]
  
[[/table]]
  
  [[# attibmax]]
    [[# attgwibmax]]
  
++ Attribute:  ##green|ibmax##  
    Upper bound for the band number

[[table ]]
[[row]]
[[cell style=" vertical-align:top;" ]] **Type:** [[/cell]] [[cell]]integer
 [[/cell]][[/row]]
[[row]] [[cell]] **Default:** [[/cell]][[cell]] {{"1"}} [[/cell]][[/row]]
 
[[row]] [[cell]] **Use:** [[/cell]][[cell]]  optional [[/cell]][[/row]]
 [[row]] [[cell]] **XPath:** [[/cell]][[cell]] {{[[[ref:/input|/input]]]/[#gw gw]/[#attgwibmax @ibmax] }}[[/cell]] [[/row]]
  
[[/table]]
  
  [[# attibmax2]]
    [[# attgwibmax2]]
  
++ Attribute:  ##green|ibmax2##  
    Upper bound for the band number

[[table ]]
[[row]]
[[cell style=" vertical-align:top;" ]] **Type:** [[/cell]] [[cell]]integer
 [[/cell]][[/row]]
[[row]] [[cell]] **Default:** [[/cell]][[cell]] {{"1"}} [[/cell]][[/row]]
 
[[row]] [[cell]] **Use:** [[/cell]][[cell]]  optional [[/cell]][[/row]]
 [[row]] [[cell]] **XPath:** [[/cell]][[cell]] {{[[[ref:/input|/input]]]/[#gw gw]/[#attgwibmax2 @ibmax2] }}[[/cell]] [[/row]]
  
[[/table]]
  
  [[# attibmin]]
    [[# attgwibmin]]
  
++ Attribute:  ##green|ibmin##  
    Lower bound for the band number

[[table ]]
[[row]]
[[cell style=" vertical-align:top;" ]] **Type:** [[/cell]] [[cell]]integer
 [[/cell]][[/row]]
[[row]] [[cell]] **Default:** [[/cell]][[cell]] {{"1"}} [[/cell]][[/row]]
 
[[row]] [[cell]] **Use:** [[/cell]][[cell]]  optional [[/cell]][[/row]]
 [[row]] [[cell]] **XPath:** [[/cell]][[cell]] {{[[[ref:/input|/input]]]/[#gw gw]/[#attgwibmin @ibmin] }}[[/cell]] [[/row]]
  
[[/table]]
  
  [[# attibmin2]]
    [[# attgwibmin2]]
  
++ Attribute:  ##green|ibmin2##  
    Lower bound for the band number

[[table ]]
[[row]]
[[cell style=" vertical-align:top;" ]] **Type:** [[/cell]] [[cell]]integer
 [[/cell]][[/row]]
[[row]] [[cell]] **Default:** [[/cell]][[cell]] {{"1"}} [[/cell]][[/row]]
 
[[row]] [[cell]] **Use:** [[/cell]][[cell]]  optional [[/cell]][[/row]]
 [[row]] [[cell]] **XPath:** [[/cell]][[cell]] {{[[[ref:/input|/input]]]/[#gw gw]/[#attgwibmin2 @ibmin2] }}[[/cell]] [[/row]]
  
[[/table]]
  
  [[# attigmax]]
    [[# attgwigmax]]
  
++ Attribute:  ##green|igmax##  
    Upper bound for the G-vector number

[[table ]]
[[row]]
[[cell style=" vertical-align:top;" ]] **Type:** [[/cell]] [[cell]]integer
 [[/cell]][[/row]]
[[row]] [[cell]] **Default:** [[/cell]][[cell]] {{"1"}} [[/cell]][[/row]]
 
[[row]] [[cell]] **Use:** [[/cell]][[cell]]  optional [[/cell]][[/row]]
 [[row]] [[cell]] **XPath:** [[/cell]][[cell]] {{[[[ref:/input|/input]]]/[#gw gw]/[#attgwigmax @igmax] }}[[/cell]] [[/row]]
  
[[/table]]
  
  [[# attigmin]]
    [[# attgwigmin]]
  
++ Attribute:  ##green|igmin##  
    Lower bound for the G-vector number

[[table ]]
[[row]]
[[cell style=" vertical-align:top;" ]] **Type:** [[/cell]] [[cell]]integer
 [[/cell]][[/row]]
[[row]] [[cell]] **Default:** [[/cell]][[cell]] {{"1"}} [[/cell]][[/row]]
 
[[row]] [[cell]] **Use:** [[/cell]][[cell]]  optional [[/cell]][[/row]]
 [[row]] [[cell]] **XPath:** [[/cell]][[cell]] {{[[[ref:/input|/input]]]/[#gw gw]/[#attgwigmin @igmin] }}[[/cell]] [[/row]]
  
[[/table]]
  
  [[# attiik]]
    [[# attgwiik]]
  
++ Attribute:  ##green|iik##  
    Lower bound for the k-point number

[[table ]]
[[row]]
[[cell style=" vertical-align:top;" ]] **Type:** [[/cell]] [[cell]]integer
 [[/cell]][[/row]]
[[row]] [[cell]] **Default:** [[/cell]][[cell]] {{"1"}} [[/cell]][[/row]]
 
[[row]] [[cell]] **Use:** [[/cell]][[cell]]  optional [[/cell]][[/row]]
 [[row]] [[cell]] **XPath:** [[/cell]][[cell]] {{[[[ref:/input|/input]]]/[#gw gw]/[#attgwiik @iik] }}[[/cell]] [[/row]]
  
[[/table]]
  
  [[# attjjk]]
    [[# attgwjjk]]
  
++ Attribute:  ##green|jjk##  
    Upper bound for the k-point number

[[table ]]
[[row]]
[[cell style=" vertical-align:top;" ]] **Type:** [[/cell]] [[cell]]integer
 [[/cell]][[/row]]
[[row]] [[cell]] **Default:** [[/cell]][[cell]] {{"1"}} [[/cell]][[/row]]
 
[[row]] [[cell]] **Use:** [[/cell]][[cell]]  optional [[/cell]][[/row]]
 [[row]] [[cell]] **XPath:** [[/cell]][[cell]] {{[[[ref:/input|/input]]]/[#gw gw]/[#attgwjjk @jjk] }}[[/cell]] [[/row]]
  
[[/table]]
  
  [[# attnbgw]]
    [[# attgwnbgw]]
  
++ Attribute:  ##green|nbgw##  
    Upper band index for GW output. If not specified, the maximum number of the available states is used.

[[table ]]
[[row]]
[[cell style=" vertical-align:top;" ]] **Type:** [[/cell]] [[cell]]integer
 [[/cell]][[/row]]
[[row]] [[cell]] **Default:** [[/cell]][[cell]] {{"0"}} [[/cell]][[/row]]
 
[[row]] [[cell]] **Use:** [[/cell]][[cell]]  optional [[/cell]][[/row]]
 [[row]] [[cell]] **XPath:** [[/cell]][[cell]] {{[[[ref:/input|/input]]]/[#gw gw]/[#attgwnbgw @nbgw] }}[[/cell]] [[/row]]
  
[[/table]]
  
  [[# attnempty]]
    [[# attgwnempty]]
  
++ Attribute:  ##green|nempty##  
    Number of empty states (cutoff parameter) used in GW. If not specified, the same number as for the groundstate calculations is used.

[[table ]]
[[row]]
[[cell style=" vertical-align:top;" ]] **Type:** [[/cell]] [[cell]]integer
 [[/cell]][[/row]]
[[row]] [[cell]] **Default:** [[/cell]][[cell]] {{"0"}} [[/cell]][[/row]]
 
[[row]] [[cell]] **Use:** [[/cell]][[cell]]  optional [[/cell]][[/row]]
 [[row]] [[cell]] **XPath:** [[/cell]][[cell]] {{[[[ref:/input|/input]]]/[#gw gw]/[#attgwnempty @nempty] }}[[/cell]] [[/row]]
  
[[/table]]
  
  [[# attngridq]]
    [[# attgwngridq]]
  
++ Attribute:  ##green|ngridq##  
     k/q-point grid size to be used in GW calculations. If not specified, [[span class="attributelink"]]**{{[#attngridk ngridk]}}**[[/span]] value is used. 

[[table ]]
[[row]]
[[cell style=" vertical-align:top;" ]] **Type:** [[/cell]] [[cell]][[[ref:common#integertriple|integertriple]]]
 [[/cell]][[/row]]
[[row]] [[cell]] **Default:** [[/cell]][[cell]] {{"0 0 0"}} [[/cell]][[/row]]
 
[[row]] [[cell]] **Use:** [[/cell]][[cell]]  optional [[/cell]][[/row]]
 [[row]] [[cell]] **XPath:** [[/cell]][[cell]] {{[[[ref:/input|/input]]]/[#gw gw]/[#attgwngridq @ngridq] }}[[/cell]] [[/row]]
  
[[/table]]
  
  [[# attq0eps]]
    [[# attgwq0eps]]
  
++ Attribute:  ##green|q0eps##  
     q0eps - the direction q [[$ \to $]] 0. Default: (1/sqrt(3),1/sqrt(3),1/sqrt(3)) 

[[table ]]
[[row]]
[[cell style=" vertical-align:top;" ]] **Type:** [[/cell]] [[cell]][[[ref:common#vect3d|vect3d]]]
 [[/cell]][[/row]]
[[row]] [[cell]] **Default:** [[/cell]][[cell]] {{"0.577350269d0 0.577350269d0 0.577350269d0"}} [[/cell]][[/row]]
 
[[row]] [[cell]] **Use:** [[/cell]][[cell]]  optional [[/cell]][[/row]]
 [[row]] [[cell]] **XPath:** [[/cell]][[cell]] {{[[[ref:/input|/input]]]/[#gw gw]/[#attgwq0eps @q0eps] }}[[/cell]] [[/row]]
  
[[/table]]
  
  [[# attreduceq]]
    [[# attgwreduceq]]
  
++ Attribute:  ##green|reduceq##  
     Use the crystal symmetry to calculate the dielectric function and perform q-point BZ integration. 

[[table ]]
[[row]]
[[cell style=" vertical-align:top;" ]] **Type:** [[/cell]] [[cell]]boolean
 [[/cell]][[/row]]
[[row]] [[cell]] **Default:** [[/cell]][[cell]] {{"false"}} [[/cell]][[/row]]
 
[[row]] [[cell]] **Use:** [[/cell]][[cell]]  optional [[/cell]][[/row]]
 [[row]] [[cell]] **XPath:** [[/cell]][[cell]] {{[[[ref:/input|/input]]]/[#gw gw]/[#attgwreduceq @reduceq] }}[[/cell]] [[/row]]
  
[[/table]]
  
  [[# attreps]]
    [[# attgwreps]]
  
++ Attribute:  ##green|reps##  
     Read option for the dielectric function matrix elements from file. 

[[table ]]
[[row]]
[[cell style=" vertical-align:top;" ]] **Type:** [[/cell]] [[cell]]boolean
 [[/cell]][[/row]]
[[row]] [[cell]] **Default:** [[/cell]][[cell]] {{"false"}} [[/cell]][[/row]]
 
[[row]] [[cell]] **Use:** [[/cell]][[cell]]  optional [[/cell]][[/row]]
 [[row]] [[cell]] **XPath:** [[/cell]][[cell]] {{[[[ref:/input|/input]]]/[#gw gw]/[#attgwreps @reps] }}[[/cell]] [[/row]]
  
[[/table]]
  
  [[# attrpmat]]
    [[# attgwrpmat]]
  
++ Attribute:  ##green|rpmat##  
     Read option for the momentum matrix. 

[[table ]]
[[row]]
[[cell style=" vertical-align:top;" ]] **Type:** [[/cell]] [[cell]]boolean
 [[/cell]][[/row]]
[[row]] [[cell]] **Default:** [[/cell]][[cell]] {{"false"}} [[/cell]][[/row]]
 
[[row]] [[cell]] **Use:** [[/cell]][[cell]]  optional [[/cell]][[/row]]
 [[row]] [[cell]] **XPath:** [[/cell]][[cell]] {{[[[ref:/input|/input]]]/[#gw gw]/[#attgwrpmat @rpmat] }}[[/cell]] [[/row]]
  
[[/table]]
  
  [[# attskipgnd]]
    [[# attgwskipgnd]]
  
++ Attribute:  ##green|skipgnd##  
     Skip recalculation KS eigenvalues and eigenvectors for the complete k-point grid (used for debugging). 

[[table ]]
[[row]]
[[cell style=" vertical-align:top;" ]] **Type:** [[/cell]] [[cell]]boolean
 [[/cell]][[/row]]
[[row]] [[cell]] **Default:** [[/cell]][[cell]] {{"false"}} [[/cell]][[/row]]
 
[[row]] [[cell]] **Use:** [[/cell]][[cell]]  optional [[/cell]][[/row]]
 [[row]] [[cell]] **XPath:** [[/cell]][[cell]] {{[[[ref:/input|/input]]]/[#gw gw]/[#attgwskipgnd @skipgnd] }}[[/cell]] [[/row]]
  
[[/table]]
  
  [[# atttaskname]]
    [[# attgwtaskname]]
  
++ Attribute:  ##green|taskname##  
     Type of calculations. 

[[table ]]
[[row]]
[[cell style=" vertical-align:top;" ]] **Type:** [[/cell]] [[cell]]string
 [[/cell]][[/row]]
[[row]] [[cell]] **Default:** [[/cell]][[cell]] {{"gw"}} [[/cell]][[/row]]
 
[[row]] [[cell]] **Use:** [[/cell]][[cell]]  optional [[/cell]][[/row]]
 [[row]] [[cell]] **XPath:** [[/cell]][[cell]] {{[[[ref:/input|/input]]]/[#gw gw]/[#attgwtaskname @taskname] }}[[/cell]] [[/row]]
  
[[/table]]
  
  [[# attvqloff]]
    [[# attgwvqloff]]
  
++ Attribute:  ##green|vqloff##  
     The [[$ {\mathbf k/q} $]]-point offset vector in lattice coordinates. 

[[table ]]
[[row]]
[[cell style=" vertical-align:top;" ]] **Type:** [[/cell]] [[cell]][[[ref:common#vect3d|vect3d]]]
 [[/cell]][[/row]]
[[row]] [[cell]] **Default:** [[/cell]][[cell]] {{"0.0d0 0.0d0 0.0d0"}} [[/cell]][[/row]]
 
[[row]] [[cell]] **Use:** [[/cell]][[cell]]  optional [[/cell]][[/row]]
 [[row]] [[cell]] **XPath:** [[/cell]][[cell]] {{[[[ref:/input|/input]]]/[#gw gw]/[#attgwvqloff @vqloff] }}[[/cell]] [[/row]]
  
[[/table]]
  
[[# freqgrid]]
+ Element:##blue| freqgrid##
  
   Parameters for the frequecy grid: fgrid: 'eqdis' - equidistant frequencies from 0 to freqmax 'gaulag' - Gauss-Laguerre quadrature from 0 to inf 'gauleg' - Gauss-Legendre quadrature from 0 to freqmax 'gaule2' - double Gauss-Legendre quadrature from 0 to freqmax and from freqmax to inf nomeg: 16 (default) omegmax: 0.42 (default) maxexp: 1 (default) Maximum exponent for analytic continuation 

[[table ]]
[[row]]
[[cell style=" vertical-align:top;" ]] **Type:** [[/cell]] [[cell]] no  content  
 [[/cell]][[/row]][[row]] [[cell]] **XPath:** [[/cell]][[cell]] {{[[[ref:/input|/input]]]/[#gw gw]/[#freqgrid freqgrid] }}[[/cell]] [[/row]]
  
[[/table]]
  
          This element allows for specification of the following attributes:  [[span class="attributelink"]]**{{[#attfreqgridfgrid fgrid]}}**[[/span]], [[span class="attributelink"]]**{{[#attfreqgridfreqmax freqmax]}}**[[/span]], [[span class="attributelink"]]**{{[#attfreqgridmaxexp maxexp]}}**[[/span]], [[span class="attributelink"]]**{{[#attfreqgridnomeg nomeg]}}**[[/span]]
  [[# attfgrid]]
    [[# attfreqgridfgrid]]
  
++ Attribute:  ##green|fgrid##  
    

[[table ]]
[[row]]
[[cell style=" vertical-align:top;" ]] **Type:** [[/cell]] [[cell]]string
 [[/cell]][[/row]]
[[row]] [[cell]] **Default:** [[/cell]][[cell]] {{"gaule2"}} [[/cell]][[/row]]
 
[[row]] [[cell]] **Use:** [[/cell]][[cell]]  optional [[/cell]][[/row]]
 [[row]] [[cell]] **XPath:** [[/cell]][[cell]] {{[[[ref:/input|/input]]]/[#gw gw]/[#freqgrid freqgrid]/[#attfreqgridfgrid @fgrid] }}[[/cell]] [[/row]]
  
[[/table]]
  
  [[# attfreqmax]]
    [[# attfreqgridfreqmax]]
  
++ Attribute:  ##green|freqmax##  
    

[[table ]]
[[row]]
[[cell style=" vertical-align:top;" ]] **Type:** [[/cell]] [[cell]][[[ref:common#fortrandouble|fortrandouble]]]
 [[/cell]][[/row]]
[[row]] [[cell]] **Default:** [[/cell]][[cell]] {{"0.5d0"}} [[/cell]][[/row]]
 
[[row]] [[cell]] **Use:** [[/cell]][[cell]]  optional [[/cell]][[/row]]
 [[row]] [[cell]] **XPath:** [[/cell]][[cell]] {{[[[ref:/input|/input]]]/[#gw gw]/[#freqgrid freqgrid]/[#attfreqgridfreqmax @freqmax] }}[[/cell]] [[/row]]
  
[[/table]]
  
  [[# attmaxexp]]
    [[# attfreqgridmaxexp]]
  
++ Attribute:  ##green|maxexp##  
    

[[table ]]
[[row]]
[[cell style=" vertical-align:top;" ]] **Type:** [[/cell]] [[cell]]integer
 [[/cell]][[/row]]
[[row]] [[cell]] **Default:** [[/cell]][[cell]] {{"1"}} [[/cell]][[/row]]
 
[[row]] [[cell]] **Use:** [[/cell]][[cell]]  optional [[/cell]][[/row]]
 [[row]] [[cell]] **XPath:** [[/cell]][[cell]] {{[[[ref:/input|/input]]]/[#gw gw]/[#freqgrid freqgrid]/[#attfreqgridmaxexp @maxexp] }}[[/cell]] [[/row]]
  
[[/table]]
  
  [[# attnomeg]]
    [[# attfreqgridnomeg]]
  
++ Attribute:  ##green|nomeg##  
    

[[table ]]
[[row]]
[[cell style=" vertical-align:top;" ]] **Type:** [[/cell]] [[cell]]integer
 [[/cell]][[/row]]
[[row]] [[cell]] **Default:** [[/cell]][[cell]] {{"16"}} [[/cell]][[/row]]
 
[[row]] [[cell]] **Use:** [[/cell]][[cell]]  optional [[/cell]][[/row]]
 [[row]] [[cell]] **XPath:** [[/cell]][[cell]] {{[[[ref:/input|/input]]]/[#gw gw]/[#freqgrid freqgrid]/[#attfreqgridnomeg @nomeg] }}[[/cell]] [[/row]]
  
[[/table]]
  
[[# selfenergy]]
+ Element:##blue| selfenergy##
  
   Option for correlation self-energy: npol: Number of poles ( previous maxexp + 1, valid range: 2.. nomeg/2 ); iopes: 0/1/2/3 - without or with iteration; iopac: 0/1 - Pade's approximation / RGN method(Rojas, Godby and Needs) 

[[table ]]
[[row]]
[[cell style=" vertical-align:top;" ]] **Type:** [[/cell]] [[cell]] no  content  
 [[/cell]][[/row]][[row]] [[cell]] **XPath:** [[/cell]][[cell]] {{[[[ref:/input|/input]]]/[#gw gw]/[#selfenergy selfenergy] }}[[/cell]] [[/row]]
  
[[/table]]
  
          This element allows for specification of the following attributes:  [[span class="attributelink"]]**{{[#attselfenergyiopac iopac]}}**[[/span]], [[span class="attributelink"]]**{{[#attselfenergyiopes iopes]}}**[[/span]], [[span class="attributelink"]]**{{[#attselfenergynpol npol]}}**[[/span]]
  [[# attiopac]]
    [[# attselfenergyiopac]]
  
++ Attribute:  ##green|iopac##  
    

[[table ]]
[[row]]
[[cell style=" vertical-align:top;" ]] **Type:** [[/cell]] [[cell]]integer
 [[/cell]][[/row]]
[[row]] [[cell]] **Default:** [[/cell]][[cell]] {{"2"}} [[/cell]][[/row]]
 
[[row]] [[cell]] **Use:** [[/cell]][[cell]]  optional [[/cell]][[/row]]
 [[row]] [[cell]] **XPath:** [[/cell]][[cell]] {{[[[ref:/input|/input]]]/[#gw gw]/[#selfenergy selfenergy]/[#attselfenergyiopac @iopac] }}[[/cell]] [[/row]]
  
[[/table]]
  
  [[# attiopes]]
    [[# attselfenergyiopes]]
  
++ Attribute:  ##green|iopes##  
    

[[table ]]
[[row]]
[[cell style=" vertical-align:top;" ]] **Type:** [[/cell]] [[cell]]integer
 [[/cell]][[/row]]
[[row]] [[cell]] **Default:** [[/cell]][[cell]] {{"0"}} [[/cell]][[/row]]
 
[[row]] [[cell]] **Use:** [[/cell]][[cell]]  optional [[/cell]][[/row]]
 [[row]] [[cell]] **XPath:** [[/cell]][[cell]] {{[[[ref:/input|/input]]]/[#gw gw]/[#selfenergy selfenergy]/[#attselfenergyiopes @iopes] }}[[/cell]] [[/row]]
  
[[/table]]
  
  [[# attnpol]]
    [[# attselfenergynpol]]
  
++ Attribute:  ##green|npol##  
    

[[table ]]
[[row]]
[[cell style=" vertical-align:top;" ]] **Type:** [[/cell]] [[cell]]integer
 [[/cell]][[/row]]
[[row]] [[cell]] **Default:** [[/cell]][[cell]] {{"2"}} [[/cell]][[/row]]
 
[[row]] [[cell]] **Use:** [[/cell]][[cell]]  optional [[/cell]][[/row]]
 [[row]] [[cell]] **XPath:** [[/cell]][[cell]] {{[[[ref:/input|/input]]]/[#gw gw]/[#selfenergy selfenergy]/[#attselfenergynpol @npol] }}[[/cell]] [[/row]]
  
[[/table]]
  
[[# mixbasis]]
+ Element:##blue| mixbasis##
  
   Mixed basis parameters. 

[[table ]]
[[row]]
[[cell style=" vertical-align:top;" ]] **Type:** [[/cell]] [[cell]] no  content  
 [[/cell]][[/row]][[row]] [[cell]] **XPath:** [[/cell]][[cell]] {{[[[ref:/input|/input]]]/[#gw gw]/[#mixbasis mixbasis] }}[[/cell]] [[/row]]
  
[[/table]]
  
          This element allows for specification of the following attributes:  [[span class="attributelink"]]**{{[#attmixbasisepsmb epsmb]}}**[[/span]], [[span class="attributelink"]]**{{[#attmixbasisgmb gmb]}}**[[/span]], [[span class="attributelink"]]**{{[#attmixbasislmaxmb lmaxmb]}}**[[/span]]
  [[# attepsmb]]
    [[# attmixbasisepsmb]]
  
++ Attribute:  ##green|epsmb##  
    

[[table ]]
[[row]]
[[cell style=" vertical-align:top;" ]] **Type:** [[/cell]] [[cell]][[[ref:common#fortrandouble|fortrandouble]]]
 [[/cell]][[/row]]
[[row]] [[cell]] **Default:** [[/cell]][[cell]] {{"1.0d-4"}} [[/cell]][[/row]]
 
[[row]] [[cell]] **Use:** [[/cell]][[cell]]  optional [[/cell]][[/row]]
 [[row]] [[cell]] **XPath:** [[/cell]][[cell]] {{[[[ref:/input|/input]]]/[#gw gw]/[#mixbasis mixbasis]/[#attmixbasisepsmb @epsmb] }}[[/cell]] [[/row]]
  
[[/table]]
  
  [[# attgmb]]
    [[# attmixbasisgmb]]
  
++ Attribute:  ##green|gmb##  
    

[[table ]]
[[row]]
[[cell style=" vertical-align:top;" ]] **Type:** [[/cell]] [[cell]][[[ref:common#fortrandouble|fortrandouble]]]
 [[/cell]][[/row]]
[[row]] [[cell]] **Default:** [[/cell]][[cell]] {{"1.0"}} [[/cell]][[/row]]
 
[[row]] [[cell]] **Use:** [[/cell]][[cell]]  optional [[/cell]][[/row]]
 [[row]] [[cell]] **XPath:** [[/cell]][[cell]] {{[[[ref:/input|/input]]]/[#gw gw]/[#mixbasis mixbasis]/[#attmixbasisgmb @gmb] }}[[/cell]] [[/row]]
  
[[/table]]
  
  [[# attlmaxmb]]
    [[# attmixbasislmaxmb]]
  
++ Attribute:  ##green|lmaxmb##  
    

[[table ]]
[[row]]
[[cell style=" vertical-align:top;" ]] **Type:** [[/cell]] [[cell]]integer
 [[/cell]][[/row]]
[[row]] [[cell]] **Default:** [[/cell]][[cell]] {{"3"}} [[/cell]][[/row]]
 
[[row]] [[cell]] **Use:** [[/cell]][[cell]]  optional [[/cell]][[/row]]
 [[row]] [[cell]] **XPath:** [[/cell]][[cell]] {{[[[ref:/input|/input]]]/[#gw gw]/[#mixbasis mixbasis]/[#attmixbasislmaxmb @lmaxmb] }}[[/cell]] [[/row]]
  
[[/table]]
  
[[# barecoul]]
+ Element:##blue| barecoul##
  
   Parameters for the bare coulomb potential: pwm - Maximum G for the pw basis (in gmaxvr*gmb units) stctol - Convergence tolerance of the struct. const. barcevtol - Tolerance to choose basis functions from bare Coulomb matrix eigenvectors. 

[[table ]]
[[row]]
[[cell style=" vertical-align:top;" ]] **Type:** [[/cell]] [[cell]] no  content  
 [[/cell]][[/row]][[row]] [[cell]] **XPath:** [[/cell]][[cell]] {{[[[ref:/input|/input]]]/[#gw gw]/[#barecoul barecoul] }}[[/cell]] [[/row]]
  
[[/table]]
  
          This element allows for specification of the following attributes:  [[span class="attributelink"]]**{{[#attbarecoulbarcevtol barcevtol]}}**[[/span]], [[span class="attributelink"]]**{{[#attbarecoulpwm pwm]}}**[[/span]], [[span class="attributelink"]]**{{[#attbarecoulstctol stctol]}}**[[/span]]
  [[# attbarcevtol]]
    [[# attbarecoulbarcevtol]]
  
++ Attribute:  ##green|barcevtol##  
    

[[table ]]
[[row]]
[[cell style=" vertical-align:top;" ]] **Type:** [[/cell]] [[cell]][[[ref:common#fortrandouble|fortrandouble]]]
 [[/cell]][[/row]]
[[row]] [[cell]] **Default:** [[/cell]][[cell]] {{"-1.0d-10"}} [[/cell]][[/row]]
 
[[row]] [[cell]] **Use:** [[/cell]][[cell]]  optional [[/cell]][[/row]]
 [[row]] [[cell]] **XPath:** [[/cell]][[cell]] {{[[[ref:/input|/input]]]/[#gw gw]/[#barecoul barecoul]/[#attbarecoulbarcevtol @barcevtol] }}[[/cell]] [[/row]]
  
[[/table]]
  
  [[# attpwm]]
    [[# attbarecoulpwm]]
  
++ Attribute:  ##green|pwm##  
    

[[table ]]
[[row]]
[[cell style=" vertical-align:top;" ]] **Type:** [[/cell]] [[cell]][[[ref:common#fortrandouble|fortrandouble]]]
 [[/cell]][[/row]]
[[row]] [[cell]] **Default:** [[/cell]][[cell]] {{"2.0d0"}} [[/cell]][[/row]]
 
[[row]] [[cell]] **Use:** [[/cell]][[cell]]  optional [[/cell]][[/row]]
 [[row]] [[cell]] **XPath:** [[/cell]][[cell]] {{[[[ref:/input|/input]]]/[#gw gw]/[#barecoul barecoul]/[#attbarecoulpwm @pwm] }}[[/cell]] [[/row]]
  
[[/table]]
  
  [[# attstctol]]
    [[# attbarecoulstctol]]
  
++ Attribute:  ##green|stctol##  
    

[[table ]]
[[row]]
[[cell style=" vertical-align:top;" ]] **Type:** [[/cell]] [[cell]][[[ref:common#fortrandouble|fortrandouble]]]
 [[/cell]][[/row]]
[[row]] [[cell]] **Default:** [[/cell]][[cell]] {{"1.0d-15"}} [[/cell]][[/row]]
 
[[row]] [[cell]] **Use:** [[/cell]][[cell]]  optional [[/cell]][[/row]]
 [[row]] [[cell]] **XPath:** [[/cell]][[cell]] {{[[[ref:/input|/input]]]/[#gw gw]/[#barecoul barecoul]/[#attbarecoulstctol @stctol] }}[[/cell]] [[/row]]
  
[[/table]]
  
+ Reused Elements
    
    The following elements can occur more than once in the input file. There for they are [[[ref:common| listed separately]]].
  
+ Data Types
 
 The Input definition uses derived data types. These  [[[ref:common| are described here]]].
  