[Wien] two different GAP value in a scf-iteration

I believe that there is no gap in your case. It is just simply one (GAP) for spin up and one (no GAP) for spin down. === Dr. Khuong P. Ong Research Scientist Optics and Transport (Team Leader) Materials Science & Engineering Department

[Wien] Error in JOINT during optical property

Check joint.err file for detail. I believe you do not have files: case.symmat1/2 or case.symmat(up/dn)1/2. Just make empty file with these names and it works. Good luck! === Dr. Khuong P. Ong Research Scientist Optics and Transport (Team Lea

Re: [Wien] (no subject)

How do you think, direct energy band gap or indirect energy band gap? I think you have your answer already. Transitions in Indirect band gap require phonon while direct band gap doesn’t. ** Dr. Khuong P. Ong Senior Scientist Fun

Re: [Wien] WIEN2k workshop

Dear Prof. Peter Blaha and colleagues, We herewith confirm that we are not able to offer financial support / accommodation to participants who are going to attend WIEN2K workshop. The workshop fee is really cheap including 2 tea breaks + lunch per day + other costs. The workshop itself is no

[Wien] The 22nd WIEN2K workshop, June 24-27, 2015, IHPC-Singapore

Dear colleagues, On behalf of the local organizer of the 22nd WIEN2K workshop we would like to remind that the deadline for early bird registration is today 20 May 2015. If you want to attend the workshop but cannot make payment by today you should register first at http://www.wien2k.at/even

[Wien] w2web single prog instgen_lapw

The correct command is :instgen_lapw -ask === Dr. Khuong P. Ong Research Scientist Optics and Transport Materials Science & Engineering Department Institute of High Performance Computing 1 Fusionopolis Way, #16-16, Connexis, Singap