vtotav
Posted: Tue Apr 03, 2007 8:48 am
Usually when I execute vtotav.f, the prompt will be as follows and I'll be able to get the VLINE:
Which direction to keep? (1-3 --- 1=X,2=Y,3=Z)
1
40
positions read
charge density read
3.90624991E-05
However, for this system, what I get is:
Which direction to keep? (1-3 --- 1=X,2=Y,3=Z)
1
252
positions read
NPLWV .GT. NGXM**3 ( 55296000).
No VLINE is generated as a result. Can I find out what may be the cause for this?
Thanks for your help. :p
Which direction to keep? (1-3 --- 1=X,2=Y,3=Z)
1
40
positions read
charge density read
3.90624991E-05
However, for this system, what I get is:
Which direction to keep? (1-3 --- 1=X,2=Y,3=Z)
1
252
positions read
NPLWV .GT. NGXM**3 ( 55296000).
No VLINE is generated as a result. Can I find out what may be the cause for this?
Thanks for your help. :p