Dear all, I’m trying to produce the pseudopotential with two core hole using ld1.x. But error occurs and stops. Input and output are attached.
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task # 0
from compute_phius : error # 1
problems with find_qi
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What is wrong in making the pseudopotential ?
Thank you,
Takahisa Ishiyama
Ch2.ld100.in
Description: Ch2.ld100.in
CRASH
Description: CRASH
log.out
Description: log.out
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