Re: [Wien] updated email for -SP+SO case

2017-10-19 Thread Gavin Abo
See eval on page 135 in section "7.8.3 Input" of the WIEN2k 17.1 usersguide [1] where it states: "if efmod is set to TETRA, eval .ge. 100 specifies the use of the standard tetrahedron method instead of the modified one" If eval is 0.101, then it is less than 100.  Whereas, if eval is 101,

Re: [Wien] updated email for -SP+SO case

2017-10-19 Thread Dr. K. C. Bhamu
Hello, Sorry for interrupting you. The last email was in the draft and sent by mistake. As I already know the solution of two queries among them. The updated query is: > https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16510.html > > 2b) when you want mesh for optical

Re: [Wien] BerryPi

2017-10-19 Thread Dr. K. C. Bhamu
Dear Lokanath, Happy Diwali! Hope you are enjoying your research at CU, TU. I am having same structure what you have in recent past. https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16508.html I have three queries and looking forward your favor. *My first query:* I am not