[CPMD-list] please Re to the top 10 :-)
cdy2000 at vip.sina.com
cdy2000 at vip.sina.com
Wed May 21 13:46:43 CEST 2003
Hello,every CPMDer!
send a mail to support our mail-list (ps re my mail to the top 10) :-)
Two questions:
1.
I use the fhi98pp to generate the pp, use "./psgen -o atomname atomname:h.ini", other atom can be generated but hydrogen, the info is
segmentation fault
rm: No match
foreach: No match
I find someone ask the same question in mail-list last year, but the answer was not clear.
2.
the programme generates a set of files, which should I use in CPMD? only *.cpi, or all of? how to denote in &ATOMS ...&END£¬use *PPNAME KLEINMAN-BYLANDER, or add some other keywords?
Thx for any help!
Sincerely Cao Dayong
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