[Wannier] Param_read error

SRKC Sharma Yamijala sharmajncasr at gmail.com
Sat Oct 18 18:00:42 CEST 2014


Dear Wannier90 member,

I am working on SrVO3. I have successfully ran till pw2wannier.x file but
while trying to run the wannier90.x executable I got the below error
showing some mismatch in srvo3.eig. I couldn't find any wrong in my input
files. I have carefully checked but I am not able to find the error.

Please help me.

Wannier90: Execution started on 18Oct2014 at 21:19:51
Found a mismatch in srvo3.eig
Wanted band  : 1 found band  : 110000
Wanted kpoint: 10000 found kpoint: 6

A common cause of this error is using the wrong
number of bands. Check your input files.
If your pseudopotentials have shallow core states remember
to account for these electrons.

 Exiting.......
 param_read: mismatch in srvo3.eig

I was not able attach the files as they are huge (40M), but I am giving the
google drive link.

Thanking you so much,
Sincerely,
Sharma.
 only_wannier
<https://docs.google.com/folderview?id=0B7l7TJgy0hzhemNfc010UHZmT1k&usp=drive_web>






********************************************************
*Chaitanya Sharma,*
*Prof. Pati'*s group,
Chemistry and Physics Materials unit,
JNCASR, BANGLORE,
Lab:: (080-2208) 2581, 2809
https://sites.google.com/site/sharmasrkcyamijala/
*********************************************************
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