[Wien] IRELAST issue

Dear sir and users, I am trying to calculate the pressure dependent elastic constant by following the instruction given in the user guide using IRELAST in my pc with WIEN2K 18 version. Unfortunately I am getting the following error while calling the ./CUBIC.job after setting

Re: [Wien] lapw2c tries to read an anomalous amount of data

I really doubt this has anything to do with the compiler or Wien2k. Have you looked at the system logs? You may also be able to look at nfs or similar logs. --- Prof Laurence Marks "Research is to see what everyone else has seen, and to think what nobody else has thought", Albert Szent-Gyorgi

[Wien] lapw2c tries to read an anomalous amount of data

Finally, I have the same problem with Intel 2019.4.243 compiler. My cases are 50 and 150 atoms. I will try the 2017.2 / Intel-tested Linux version. ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at