uan Ge (Giovanni)
> Center for Functional Nanomaterials
> Brookhaven national laboratory
> ===
>
>> On 20 December 2014 at 11:43, Jing Wang wrote:
>> Thanks. Okay, let me make sure I understand that, so all the data shown in
>> the file are potentials a
icitly given. you have the size of the cell, and the number of grids at
> the first few lines, then you should be able to have a formula to calculate
> the coordinate of the n-th data.
>
>
>> On Saturday, December 20, 2014, Jing Wang wrote:
>> Thanks for the very detailed e
8E+00 -3.274420891E+00 -2.365272143E+00 -2.086628582E+00
-1.945051309E+00
-1.918992011E+00 -1.927145835E+00 -1.943940931E+00 -1.943940931E+00
-1.927145835E+00
.
.
Thank you.
Jing Wang
Dept. of Physics,
Georgia Tech, GA
2014-12-19 11:42 GMT-05:00 Paolo Giannozzi :
>
> On Wed, 2014-12-
potential to be human readable in txt data form with coefficients of plane
waves. The pp.x does gave me some txt data file like the one I attached
below, but I don't know what the numbers are and I can't find specific
explanation of the output data of pp.x...
Thanks.
Jing Wang
Dept.
0E+000
-1.363633827524650E-017,-0.000E+000
0.000E+000,-0.000E+000
0.000E+000,-0.000E+000
0.000E+000,-0.000E+000
2
E'
..
.
Thank you for any response.
Jing Wang
D
327142E-01
1.452305376E+00
6.186557014E-01 1.426203806E+00 1.426203806E+00 6.186557014E-01
-1.033031298E+00
-2.976954363E+00 -3.792558359E+00 -2.995197487E+00 -2.094921250E+00
-1.698073457
Thanks.
Jing Wang
Dept. of Physics
Georgia Tech, GA, U.S.A
___
Pw_for
s) so I want to know if
there is any method I can take to interpret that data into readable files
in the format of cofficients of plane waves with G vectors like what the
pw2casino does to the .wfc file.
Thanks for any suggestions!
Jing Wang
___
Pw_for
