Check the format of case.inorb, it sounds like it is right for Ni but you
did it wrong when you added V.
---
Professor Laurence Marks
"Research is to see what everybody else has seen, and to think what nobody
else has thought", Albert Szent-Gyorgi
http://www.numis.northwestern.edu
Corrosion in 4D
Dear Gavin & wien2k users,
There is a error file uporb.eror in which "error in vorb" is
written. Also, I have done x orb -up/dn & not only x orb. Also, whenever I
am removing the U from V and putting U only for Ni it is running smoothly.
However, on adding U to V atom it is showing
Dear Gavin,
There is a error file uporb.eror in which "error in vorb" is
written. Also, I have done x orb -up/dn & not only x orb. Also, whenever I
am removing the U from V and putting U only for Ni it is running smoothly.
Should I send the struct file?
with regards,
On Sun, Jul 2,
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