subject:"\[Wien\] OPTIC\-HFSOC"

Re: [Wien] OPTIC-HFSOC

2017-06-24 Thread tran

t for WIEN2k users <Wien@zeus.theochem.tuwien.ac.at> Subject: [Wien] OPTIC-HFSOC Dear Tran and Wien2k users In a previous post F. Tarn have given a procedure on how to run soc on top on hf calculations as explained in the following link. http://zeus.theochem.tuwien.ac.at/pipermail/wien/

[Wien] OPTIC-HFSOC

2017-06-21 Thread Osama Yassin

Dear Tran and Wien2k users In a previous post F. Tarn have given a procedure on how to run soc on top on hf calculations as explained in the following link. http://zeus.theochem.tuwien.ac.at/pipermail/wien/2016-August/025154.html It works well when I tried it with a low k-mesh. (N.B