Re: [Wien] Help regarding calculatiosn with ElaStic_1.0

Thanks a lot prof. Blaha. Now it is working well. kind regard On Tue, May 31, 2016 at 3:02 PM, Peter Blaha wrote: > > > > f. Now i ran >> >> $ElaSticROOT/ElaStic_submit_WIEN2k.sh >> >> and calculations worked properly with this command no any erroe. >> >> But

Re: [Wien] Problem with x w2w -so -up (wien2wannier)

Maybe...the default configuration dies not work if you have a relativistic lo, you have to change and recompile. On May 31, 2016 7:43 PM, "Wen Fong Goh" wrote: > Hi, I know this issue has been floating around in the mailing list, but I > still couldn't find the

Re: [Wien] Help regarding calculatiosn with ElaStic_1.0

f. Now i ran $ElaSticROOT/ElaStic_submit_WIEN2k.sh and calculations worked properly with this command no any erroe. But when i ran $ElaSticROOT/ElaStic_Save_Clean_WIEN2k It is saying bash: ./ElaStic_Save_Clean_WIEN2k: Permission denied do: ls -als

[Wien] Help regarding calculatiosn with ElaStic_1.0

Dear Wien2k users and developers, Greetings from me. I am workind with ElaStic_1.0 for calcualtios of second order elastic constants and others. 1. I installed ElaStic_1.0 sucessfully 2. I am doing calculations for TiC and I followed the following procedure. a. I made a directory TiC in ElaStic