Re: [Wien] Problems about generating case.radwf and .almblm files

2013-05-25 Thread wasim raja Mondal
Hi aarinas I donot know about rawdf file. But in the case.almblm file I cal help you. After general run of scf , in your working directory just type this command: x lapw2 -almd. Regards wasim On Sat, May 25, 2013 at 10:13 AM, 万博 arri...@gmail.com wrote: Dear Prof.

Re: [Wien] Problems about generating case.radwf and .almblm files

2013-05-25 Thread 万博
Dear Wasim, Thanks a lot! 2013/5/25 wasim raja Mondal wasimr.mon...@gmail.com Hi aarinas I donot know about rawdf file. But in the case.almblm file I cal help you. After general run of scf , in your working directory just type this command: x lapw2 -almd.

[Wien] Problems about generating case.radwf and .almblm files

2013-05-24 Thread 万博
Dear Prof. Peter Blaha and wien2k users, I am trying to generate the case.radwf and case.almblm files with Wien2k. According to th UG, the radial wave function and the coefficients can be generated by the switch ALM in case.in2. As a test, I use the fcc-Al