[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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