[Pw_forum] how to make a input file for the vdW_kernel_table

Tian yongchao tanyciquantum at gmail.com
Tue Nov 29 01:59:53 CET 2011


*Dear all

   i'm facing a problem about how to make a input file for the**
vdW_**kernel_table
. i have read the " generate_vdw_kernel_table.f90 " . there are still some
questions about it . in this file , i found this :

"
 CHANGE THESE VALUES AT YOUR OWN RISK

  integer, parameter :: Nqs = 20

  real(dp), dimension(Nqs):: q_mesh = (/  1.00D-5, 0.0449420825586261D0,
0.0975593700991365D0, &
       0.159162633466142D0, 0.231286496836006D0, 0.315727667369529D0,
0.414589693721418D0, &
       0.530335368404141D0, 0.665848079422965D0, 0.824503639537924D0,
1.010254382520950D0, &
       1.227727621364570D0, 1.482340921174910D0, 1.780437058359530D0,
2.129442028133640D0, &
       2.538050036534580D0, 3.016440085356680D0, 3.576529545442460D0,
4.232271035198720D0, &
       5.0D0 /)
"

i do not know what " q_mesh " means , whether it is diffierent if i
calcualte differenet systems .

**thanks in advance



tanyci

nankai university , tinajin

China *
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