Re: [Wien] error in nlvdw

Dear Dr. Tran, The problem is solved. Its running fine now. withy regards, On Tue, 27 Jun 2023 at 13:45, wrote: > You have to delete case.inm_vresp and case.vresp*. These files are not > used for the functional that you have chosen and may perturb lapw0. > > On 27.06.2023

Re: [Wien] error in nlvdw

You have to delete case.inm_vresp and case.vresp*. These files are not used for the functional that you have chosen and may perturb lapw0. On 27.06.2023 07:08, shamik chakrabarti wrote: Dear Prof. Blaha, I have used XC as XC_GGA_X_B86_R EC_LDA VC_LDA in case.in0. When I am running from w2web

Re: [Wien] error in nlvdw

When clicking in w2web it tells you the command it actually executes at the top of the screen. Is it the same as what you type ?  So this can't make the difference. You only answered the last sentence of my previous emai (but this twice ??)l. Please read the complete email. Am 27.06.2023