Re: [Wien] A problem with wien2wannier

2018-09-09 Thread Gavin Abo
:gs...@crimson.ua.edu>> Reply-To: A Mailing list for WIEN2k users mailto:wien@zeus.theochem.tuwien.ac.at>> Date: Sunday, September 9, 2018 at 7:47 AM To: "wien@zeus.theochem.tuwien.ac.at <mailto:wien@zeus.theochem.tuwien.ac.at>" mailto:wien@zeus.theochem.tuwien.ac.at>&g

Re: [Wien] A problem with wien2wannier

2018-09-09 Thread Zhu, Jianxin
lto:gs...@crimson.ua.edu>> Reply-To: A Mailing list for WIEN2k users mailto:wien@zeus.theochem.tuwien.ac.at>> Date: Sunday, September 9, 2018 at 7:47 AM To: "wien@zeus.theochem.tuwien.ac.at<mailto:wien@zeus.theochem.tuwien.ac.at>" mailto:wien@zeus.theochem.tuwien.ac.

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? Altho

[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