subject:"\[Wien\] XMCD spectra"

Re: [Wien] XMCD spectra

2019-05-04 Thread Lawal Mohammed

>To: wien@zeus.theochem.tuwien.ac.at >Subject: [Wien] XMCD spectra > >Dear Wien2k Users, >I am new to Wien2k. I am using WIEN2k 18.2 in Linux. I tried to calculated >XMCD spectra for US compound. >I have used the following steps to calculate the XMCD spectra for US (NaCl >structure) >

Re: [Wien] XMCD spectra

2019-05-04 Thread tran

May 2019 12:30:12 From: KRISH Reply-To: A Mailing list for WIEN2k users To: wien@zeus.theochem.tuwien.ac.at Subject: [Wien] XMCD spectra Dear Wien2k Users, I am new to Wien2k. I am using WIEN2k 18.2 in Linux. I tried to calculated XMCD spectra for US compound. I have used the following steps to

[Wien] XMCD spectra

2019-05-04 Thread KRISH

Dear Wien2k Users, I am new to Wien2k. I am using WIEN2k 18.2 in Linux. I tried to calculated XMCD spectra for US compound. I have used the following steps to calculate the XMCD spectra for US (NaCl structure) 1. cif2cell us.cif 2. init_lapw 3. runsp_lapw 4. delete brodyn files 5. initso_lapw