[Wien] DOS and XANES and cahge density

2008-10-16 Thread 鈴木 知史
Dear Wien2k users My name is Chikashi Suzuki, from Japan Atomic Energy Agency. I am running wien version WIEN2k 07.3. I calculate Am LIII Xay absoprtion spectra (XAS) of AmO2. I would like analyze this XAS considering the core-hole using the supercell (Am32O64). In order to analyze this XAS, I

[Wien] DOS and XANES

2008-10-10 Thread Rocquefelte
Dear Chikashi, Concerning your first question, you should check the parameters in param.inc of lapw1. These parameters are explained in the user guide p.87. Particularly, a maximum value of energy eigenvalues is defined in this file (NUME). If you want to calculate more states than the number