Re: [Pw_forum] inconsistent quadrupolar coupling from gipaw calculation

2017-10-12 Thread Davide Ceresoli
...I wasn't able to obtain reasonable results for Co3O4 with elk. Therefore I've run an all-electron calculation with an uncontracted basis set with ORCA, for the Co(CO)$_4$H complex. Here are the results (Vzz component in Hartree/bohr^2): atom ORCANCPPNC-semi PAW+NC PAW+US

Re: [Pw_forum] Xcrysden_error

2017-10-12 Thread Matic Poberznik
Dear Sudha, > Dear Experts >   I am trying to install Xcrysden software in ubuntu 16.04, I got the just try: sudo apt-get install xcrysden Best Regards, Matic -- Matic Poberznik J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia ___ Pw_forum

[Pw_forum] Xcrysden_error

2017-10-12 Thread Sudha Priyanka
Dear Experts I am trying to install Xcrysden software in ubuntu 16.04, I got the following error for ./xcryden command /home/sudha/Downloads/XCrySDen/xcrysden-1.5.60/bin/xcrys: error while loading shared libraries: libtk8.5.so: cannot open shared object file: No such file or directory When I