[CPMD-list] how to make Ti on GGA in uspp
cdy2000 at vip.sina.com
cdy2000 at vip.sina.com
Mon Mar 24 02:44:49 CET 2003
hello,everyone!
I use the uspp programme to generate the pseudopotential files. By setting exfact=1-5 and ifqopt=3, I can change many atom from LDA to GGA but Ti. In ti directory, I can success to make on LDA, but for GGA, every time I type "make" in ti directory, the info is
...
construction of qqq and ddd complete
pseudizing qfuncs for beta = 1
make : *** [ti_ps.uspp] Error 1
I can success to make on many other atom by the same procedure, I don't know why, maybe I should change some other parameter in the source files?
Thanks for any help.
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