That direction wrong error probably means their is a problem with your
case.in5(c) file with either parameter npy not being greater than 1 or
noorth1 (refer to section 8.14.3 Input for case.in5 in the WIEN2k
usersguide).
On 3/6/2019 2:30 AM, Santanu Pathak wrote:
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.png
Therefore electron density plot is not formed as shown below.
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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