[Wien] A problem with icc and wien2k

2011-02-20 Thread EGUCHI Gaku
Hello, I'm also in the same trouble with x lstart even in using ifort (v12)+gcc: SELECT XCPOT: recommended: 13: PBE-GGA (Perdew-Burke-Ernzerhof 96) 5: LSDA 11: WC-GGA (Wu-Cohen 2006) 19: PBEsol-GGA (Perdew etal. 2008) SELECT ENERGY to separate core

[Wien] A problem with icc and wien2k

2011-02-20 Thread Peter Blaha
If I remember correctly, the lstart problem with ifort12 was discussed and solved before. I guess it concernsinsld.f where one must add an initilization of DVC. IF (NSTOP.EQ.0) GO TO 2 1 CONTINUE JSPIN=2 DVC=137.0359895 ! add this line