Re: [Wien] Fermi surface not 4 fold symmetric for a cubic material with space group Pm3m

2018-11-07 Thread Peter Blaha
Something must be wrong, but there is not enough information. Post your struct file together with an exact description of what you are doing. What was the direction of magnetization ? On 11/8/18 7:47 AM, Anup Shakya wrote: Dear All, I have not got any suggestion for the question. If anyone

[Wien] Fermi surface not 4 fold symmetric for a cubic material with space group Pm3m

2018-11-07 Thread Anup Shakya
Dear All, I have not got any suggestion for the question. If anyone can give me some suggestions that would be great. If you need more information about the structure or the problem then please let me know. Sincerely, Anup Pradhan Sakhya (Ph.D.) Visiting Post-Doctoral Fellow DCMP, TIFR, Mumbai

[Wien] Upgrade to Wien2k18.2

2018-11-07 Thread Subhasis Panda
Dear Users, I have downloaded wien2k_18.2 and followed the instructions given in UG for installation on a desktop PC having core i7 with ubuntu 16.04 operating system, fortran compiler ifort, math libraries MKL. During site configuring it showed "word too long". To solve this , I have replaced

[Wien] Please don't just look at :DIS & :ENE

2018-11-07 Thread Laurence Marks
There have been several recent emails where people have been confused by just looking at :DIS & :ENE, thinking that these are oscillating so something is wrong. As I have mentioned before, :DIS & :ENE only show partial information. The script Check-mixing shows the important terms, except for the