[Wien] Error in case.in0 (H-mode)

2008-02-18 Thread Peter Blaha
The only modification to case.in0 should be in the first line setting 18 instead of 13. The rest of the instructuions is for case.ineece, where you should specify HYBR and 0.2. Please note: we found some possible bugs in the Hybrid code (mainly for cubic-symmetry or when the number of LMs

[Wien] Error in case.in0 (H-mode)

2008-02-13 Thread Hamid Abbaszadeh Peivasti
Dear Dr. Blaha; In the UG, section 7, lapw0 (page 81), in format of case.in0, line 3 is IPRINT, H-mod, FFTopt, LUSE. When I try to use HYBR mod, there is *error* in *lapw0.* case.in0### TOT 18(5...CA-LDA, 13...PBE-GGA, 11...WC-GGA) R2V HYBR