[Wien] error in mBJ

2018-09-09 Thread mitra narimani
Hello dear users I have a problem about mBJ running of monolayer quantum well. I relax my structure and run it within GGA approach. This process doesnt have any error and everything goes well. But when I run this monolayer within mBJGGA approach, in cycles after 8 or 9 the errors occur in lcore

Re: [Wien] A problem with wien2wannier

2018-09-09 Thread Gavin Abo
Which WIEN2k and wien2wannier (w2w) version is that error from? Looks like it might be from WIEN2k 14.2 and w2w 1.0. Many changes to WIEN2k [1] and w2w [2] have been made since then (which fixed bugs that existed in the old versions).  Have you tried the latest WIEN2k 18.2 and w2w 2.0?

[Wien] A problem with wien2wannier

2018-09-09 Thread 倪昊旸
Dear all: When I initialize my calculation with wien2wannier. Such error always occurs when I execute write_win, no matter what parameters I choose before forrtl: severe (59): list-directed I/O syntax error, unit -5, file Internal List-Directed Read Image PC