[Pw_forum] elf calculation with USPP

[Axel Kohlmeyer]

On Thu, 9 Oct 2008, ski2 at mail.uh.edu wrote:

SH> Dear all,
SH> 
SH> When I did ELF calculation, I got the message in the out file as the following:
SH> 
SH>      Calling punch_plot, plot_num =   8
SH>      Message from routine do_elf:
SH>      elf + US not fully implemented
SH>      Writing data to file  elf
SH> 
SH> Does this mean the elf data were incompletely calculated? 

yes! 

what else? the message is pretty obvious, isn't it?

please see the mailing list archives for previous responses
to the same question that give more details.

cheers,
   axel.

SH> 
SH> Please let me know.
SH> 
SH> Best Wishes,
SH> Sang-Hwan (postdoc)
SH> 
SH> 
SH> 
SH> Department of Chemistry
SH> University of Houston
SH> 136 Fleming Building
SH> Houston, TX 77204-5003
SH> 

-- 
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Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
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