Reading LOCPOT & CHG
Posted: Fri Feb 24, 2012 5:06 am
Dear All,
I've been trying create a script to load the LOCPOT and CHG file, but seems to be the result is quite strange compare to other software result like VESTA. When i try to do a mesh plot the result seems to be wave like and it so strange &| . Is there any other arrangement to plot this? or did I miss something?
I already do this to load the LOCPOT, but still show a strange result,
for kk = 1:NGZ
for jj = 1:NGY
for ii = 1:NGX
V(ii,jj,kk) = ...
end
end
end
Thanks,
I've been trying create a script to load the LOCPOT and CHG file, but seems to be the result is quite strange compare to other software result like VESTA. When i try to do a mesh plot the result seems to be wave like and it so strange &| . Is there any other arrangement to plot this? or did I miss something?
I already do this to load the LOCPOT, but still show a strange result,
for kk = 1:NGZ
for jj = 1:NGY
for ii = 1:NGX
V(ii,jj,kk) = ...
end
end
end
Thanks,