Dear Prof. Blaha and Wien2k users I am calculating the case of Si02 and it seems to work fine with the Number of k-points: 10, the SCF calculation is successful. After increasing the number of k-points to 50, and 100 the SCF calculation stops on cycle 1 on lapw2, with only an error message - error in lapw2.def. However, after increasing the number of k-points to 1000, it seems to be working fine again. It is taking a long time, but for now it passed cycle 1, and is on cycle 4.
Since I am a new user, I don't know if I am doing something wrong, or is it a bug in the program? (I am using the latest version of Wien2k, on Ubuntu Linux) Thanking you in advance. Daniel Meljanac
