[CPMD-list] how to run ld1 programme

Hong Won Keon g0403127 at nus.edu.sg
Mon Feb 14 08:23:54 CET 2005


Hi, everybody,

 

I'm beginner in CPMD.

Now I'm trying to get psedopotential of Pt.

So I downloaded a package from the site below:

http://leopardi.cmp.sns.it/~giannozz/

 

As a first step, I put information in  "ld1.in" file as follow:

&input

atom = 'Pt' config = '[Xe] 4f14.0 5d9.0 6s1.0'

dft = 'pw91', file_wavefunctions = 'pts1d9.wfc'

&end

 

However, I cannot find out how to run this program - ld1 - in manual. 

I think the answer may be short and simple. 

Please help me with this trivial problem. Thanks in advance.

 

W.K. Hong 

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