Re: [Wien] Installation problems in WIEN2k13.1

2013-07-10 Thread Peter Blaha
I don't think there is a compilation problem in lapw2. Check the output1 file. The semicore states should have similar eigenvalues, thus we check now if you have an eigenvalue at one k-point eg. at -6 Ry, but on all others at -4 Ry. This would indicate a ghoststate. Compare runs with your

[Wien] Installation problems in WIEN2k13.1

2013-07-09 Thread Krisna Swaroop Sharma
Dear Prof. Blaha $ Other Experts We are trying to install WIEN2k13.1 rather than upgrading earlier version WIEN2k10.1, but we are facing some problems. Need your help and guidance to do it successfully. The details of hardware and software are as follows: 1) We are using INTEL dual core