Re: [QE-users] Proper scf input file for study SOC effect on magnetic insulator

2022-07-11 Thread Nuttachai Jutong
Dear Iurii, Thank you very much now everything is clear. The two-step procedures don't need. Actually, this calculation aims to extract the model Hamiltonian from MLWF implemented in wannier90. After that, the topological spin structure will be calculated to study the topological Hall

Re: [QE-users] Proper scf input file for study SOC effect on magnetic insulator

2022-07-08 Thread Iurii TIMROV via users
ch/265334 From: users on behalf of Nuttachai Jutong Sent: Thursday, July 7, 2022 4:05:03 PM To: users@lists.quantum-espresso.org Subject: Re: [QE-users] Proper scf input file for study SOC effect on magnetic insulator Dear Iurii, Thank you very much for your quick reply. However, compu

Re: [QE-users] Proper scf input file for study SOC effect on magnetic insulator

2022-07-06 Thread Iurii TIMROV via users
To: users@lists.quantum-espresso.org Subject: [QE-users] Proper scf input file for study SOC effect on magnetic insulator Dear Users, and developers, I am using quantum espresso version 7.0 to study the SOC effect on magnetic insulator (EuO) band structure. I have no problem with the magnetic

[QE-users] Proper scf input file for study SOC effect on magnetic insulator

2022-07-06 Thread Nuttachai Jutong
Dear Users, and developers, I am using quantum espresso version 7.0 to study the SOC effect on magnetic insulator (EuO) band structure. I have no problem with the magnetic insulator band structure calculated using LDA+U (without SOC). The procedure I used is the same as recommended on