Differences

This shows you the differences between two versions of the page.

fireball.in [2012/01/31 11:36]
prokop
fireball.in [2012/12/03 11:52] (current)
prokop
Line 5: Line 5:
  iwrtcdcoefs = 0 or 1          # write coefficients of wavefunction C_i,mu   iwrtcdcoefs = 0 or 1          # write coefficients of wavefunction C_i,mu
  iwrtcharges = 0 or 1        iwrtcharges = 0 or 1     
-  iwrtdensity = 0  or 1+  iwrtdensity = 0  or 1         # write out density matrix to standard output
  iwrteigen = 0  or 1          # write out eigenvalues   iwrteigen = 0  or 1          # write out eigenvalues
  iwrtefermi = 0  or 1          # write out occupation numbers of states   iwrtefermi = 0  or 1          # write out occupation numbers of states
-  iwrtfpieces = 0  or 1 +  iwrtfpieces = 0  or 1         # write out pieces of force  
-  iwrthampiece = 0  or 1+  iwrthampiece = 0  or 1       # write out pieces of hamiltonian
  iwrtcomponents = 0  or 1   iwrtcomponents = 0  or 1
  iwrtneigh = 0 or 1   iwrtneigh = 0 or 1
Line 22: Line 22:
  iwrtden = 0  or 1   iwrtden = 0  or 1
  iwrtewf = 0  or 1          # plot wavefunction in 2D .ppm or 3D .xsf format   iwrtewf = 0  or 1          # plot wavefunction in 2D .ppm or 3D .xsf format
-  iwrtxsf = 0  or 1+  iwrtxsf = 0  or 1           # plot density and potential on grid .xsf
  iwrtpsit = 0  or 1   iwrtpsit = 0  or 1
  iwrtqt = 0  or 1   iwrtqt = 0  or 1
 
fireball.in.txt · Last modified: 2012/12/03 11:52 by prokop
 
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