[Wien] 'DIR WRONG' error in electron density plotting

Santanu Pathak santanupathak21 at gmail.com
Wed Mar 6 10:30:39 CET 2019


I am calculating the electronic structure of oxide material. There's no
error in the scf run and DOS, band structure, optical properties are being
studied. But after following all the steps for Electron Density plot, *a
message 'DIR WRONG'* is coming in *x lapw5* as below.

[image: image.png]
Therefore electron density plot is not formed as shown below.
[image: image.png]

How can this problem be solved? Kindly let me know if any further detail is
needed about the scf run or structure for solving the problem. Thank you.


*Best Regards, *

*Santanu Pathak*
*Senior Research Fellow*
*Variable Energy Cyclotron Centre*

*1/AF Bidhan Nagar, Kolkata-700064, India*
*Phone no.: 033-2318-4460 / **09163419475*
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