[CPMD-list] Error in getting vibrational frequency

Mon Feb 28 09:34:16 CET 2005

Hi, cpmd-lists,

I've met error message while getting vibrational frequency of benzne with Ultrasoft PP with PW91 functionals. 
When I tired with another PP - Goedecker and BLYP, there was no problems.

I'll attatch my input files and outout files.

-------ERROR MESSAGE PART 
 RESTART INFORMATION WRITTEN ON FILE                  ./RESTART.1

                                                                                 PROGRAM STOPS IN SUBROUTINE SECDER|   [PROC=   0]

 PROGRAM STOPS IN SUBROUTINE SECDER|   [PROC=   2]
p2_6468:  p4_error: : 999

                                                                                 PROGRAM STOPS IN SUBROUTINE SECDER|   [PROC=   1]
p1_6452:  p4_error: : 999

 PROGRAM STOPS IN SUBROUTINE SECDER|   [PROC=   3]
p3_5873:  p4_error: : 999

What's wrong with my input files?
I tried first with CUTOFF 70, second with CUTOFf 30, but the result was same - error. 

Besides that, can you give me some knowledge on how to interpret vibrational frequecy in the output files. 

Thanks in advance,

Hongwk

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