[CPMD-list] how to use the uspp package?

[cdy2000 at vip.sina.com]

     Hello,everybody!

     I use the cpmd 3.5, but I have no the pseudopotential files. I have downloaded the uspp package from 

http://www.physics.rutgers.edu/~dhv and I used the command "reform.x" to convert the pseudopotential files such as "008-O-ca

--vgrp", but the converted files is invalid yet. maybe the format of the files is invalid, can't be recognized by the 

programe. 
     
     In general, I have some questions:

     1. How can I convert the source files to the valid pseudopotential files?

     2. How to use the keyword in the section of &DFT...&END? Such as "008-O-ca--vgrp", ca is Ceperley-Alder, does it belong 

to LDA, right? should I only use FUNCTIONAL LDA, or add some other keywords? 
     
     3. When I used the converted pseudopotential files by the command "reform.x" directly, The error information in the 

result file is "RECPNEW| &ATOM SECTION NOT FOUND 


                PROGRAM STOPS IN SUBROUTINE RECPNEW|",
then the programe is interrupted, I want to know what can't be found in the ATOM SECTION.

     I have no experience in using the CPMD programme, please give me the answer in details.

     Please help me!
 
     

                                                                               Yours Sincerely
                           								Cao Dayong  
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