Re: [Wien] DFT of a normal spinel

Dear wien2k users, We have understood the source of error trying to eliminate that. Thanking you, regards, On Wed, Mar 4, 2015 at 2:06 AM, shamik chakrabarti shamik...@gmail.com wrote: Dear wien2k users, We are trying to do DFT simulation on a spinel ferrite

[Wien] DFT of a normal spinel

Dear wien2k users, We are trying to do DFT simulation on a spinel ferrite (normal spinel) having Fe atom distributed over all the octahedral sites (16d). However, during initialization we have achieved the following error forrtl: severe (24): end-of-file during read, unit 81, file