[Wien] trouble with clmcopy.def

2012-11-08 Thread tas...@affinity-science.com
Hello, I found that clmcopy can't work well in version 12.1. it's because of clmcopy.def. so, please modify/update x_lapw as below. tasaka at theta:~/work/tmp/SRC$ diff x_lapw x_lapw.new 1688,1689c1688,1689 echo 17,'$file.vresp$ending$updn', 'old','formatted', 0 echo

[Wien] MBJ- for spin-polarized case including spin-orbit coupling

2012-11-08 Thread Gavin Abo
Chandra Road Kolkata - 79, India Cell No. 09830159422 -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20121108/50e262b6/attachment.htm

[Wien] case.outputjoint format

2012-11-08 Thread Gavin Abo
of case.outputjoint I want to calculate plasma frequency... thanks ajay -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20121108/1b2d8693/attachment.htm