[Wien] installation problem

2008-10-06 Thread Itsuhiro Fujii
Dear Dr. NORIZA Ahmad Zabidi The trouble you asked is tha same of me. WIEN2k_08.2 has bugs in userconfig_lapw. You should try newest version, WIEN2k_08.3. We are using Wien2k 2008 version with fortran compiler 10.0.026 and math kernel library 9.1.023 We are having a problem regarding

[Wien] Error during compilation

2008-10-06 Thread Subhra Kulshrestha
/attachments/20081006/0d3d8adb/attachment.html

[Wien] Cannot find hex2rhomb w2web

2008-10-06 Thread Gavin Abo
this feature? Gavin -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20081006/4e52e729/attachment.html

[Wien] Cannot find hex2rhomb w2web

2008-10-06 Thread Yurko Natanzon
Dear Gavin, It is not available in w2web, but you may run it from the console: /path/to/wien2k/hex2rhomb regards, Yurko 2008/10/6 Gavin Abo gsabo at bama.ua.edu: Running wien2k_08.3. The user guide, dated April 24, 2008, says that hex2rhomb can be found under Run Programs, then Other Goodies

[Wien] Cannot find hex2rhomb w2web

2008-10-06 Thread Peter Blaha
Sorry, this is not correct in the UG. This utility was included in the old WIEN in a BOX interface (of WIEN97), but was never included in W2WEB. Just open a terminal window and type hex2rhomb. It will ask zou for some h,k,l in hex coord. and print the converted ones. Thanks for reporting

[Wien] Wave function

2008-10-06 Thread Sergio Yanuen Rodriguez
Dear Robert Thanks a lot for your help I tried both switches together and it seems to work. Regards Sergio Y. Rodriguez Physics Department Texas AM University hi, How can I get the A_lm, B_lm and C_lm coeffients for holes? Or the wavefunction for holes? Did you use ALM switch for lapw2?