[Wien] grep :GAP issue

2017-12-29 Thread Dr. K. C. Bhamu
Hello, [Its with Wien2k_17.1] I am running TM doped PbS with -sp. I am not able to get any number (band gap ) from grep :GAP command (grep :GAP *.scf) while :FER or any other switches are working well. It is known to me that whether a material is metallic or semiconductor, "grep :GAP

Re: [Wien] ** Error in Parallel lapw0 ** lapw0 STOPPED at Thu Dec 28 09:09:44 EET 2017 ** check ERROR FILES!

2017-12-29 Thread Gavin Abo
The message indicates a problem occurred in lapw0.  Beyond that, there is not enough information to help. As the message says, you have to check the ERROR FILES (cat *.error) for any additional error information. You should also check the standard output in the terminal, or if you are using