Re: [Wien] Problem in NMR Calculation

2018-06-10 Thread Gavin Abo
I'm not too familiar with NMR calculations.  I suspect that a non-zero nmr_q0.vector should be written by the "x_nmr -mode lapw1".  Does nmr_q0.vector have a zero or non-zero file size (file size should be given in the output for example of the terminal command: ls -l

[Wien] Problem in NMR Calculation

2018-06-08 Thread Arvind Kumar
Dear Prof. Blaha and Wien2k users, I want to do NMR calculation on CoFe alloy so that I have made following steps one by one: 1) run scf calculations (completed) 2) *x_nmr in which following steps have completed* i) x_nmr -mode in1 (completed) ii) x_nmr -mode lapw1 (completed) iii) x_nmr -mode