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

2019-03-06 Thread Gavin Abo
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

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

2019-03-06 Thread Santanu Pathak
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]