Re: [Wien] Error in generating case.in1_nmr file

Your case.in1 file is not correct. The error occurs when it tries to read EF in the second line of case.in1 in columns 11-26. Make sure that in this range a valid EF is given, but not some text. Am 28.04.2019 um 01:10 schrieb nader: Dear Prof. Blaha, I am able to do the scf and DOS and ban

[Wien] Error in generating case.in1_nmr file

Dear Prof. Blaha, I am able to do the scf and DOS and band-structure calculations correctly but my NMR calculations using "x_nmr_lapw -mode in1" kept giving me the following error : " EXECUTING: /home/nader/Downloads/Wien2k/nmr -case test2 -mode in1 -nodes 8 -green -ovlpmax 0.4 forrtl: s