Re: [QE-users] SCf convergence for antiferromagnetic insulator

2020-12-02 Thread Iurii TIMROV
From: users on behalf of Diship Srivastava Sent: Wednesday, December 2, 2020 12:29:38 PM To: Quantum ESPRESSO users Forum Subject: Re: [QE-users] SCf convergence for antiferromagnetic insulator [https://drive-thirdparty.googleusercontent.com/16/type/application/vnd.goog

Re: [QE-users] SCf convergence for antiferromagnetic insulator

2020-12-02 Thread Diship Srivastava
p://people.epfl.ch/265334 > -- > *From:* users on behalf of > Diship Srivastava > *Sent:* Wednesday, December 2, 2020 11:56:27 AM > *To:* users@lists.quantum-espresso.org > *Subject:* [QE-users] SCf convergence for antiferromagnetic insulator > &

Re: [QE-users] SCf convergence for antiferromagnetic insulator

2020-12-02 Thread Iurii TIMROV
nesday, December 2, 2020 11:56:27 AM To: users@lists.quantum-espresso.org Subject: [QE-users] SCf convergence for antiferromagnetic insulator Hi, I had previously used procedure used in https://gitlab.com/QEF/q-e/-/tree/3ec392ecee8a83958789d31be5737adac07974ba/HP/examples/example02 to calculate

[QE-users] SCf convergence for antiferromagnetic insulator

2020-12-02 Thread Diship Srivastava
Hi, I had previously used procedure used in https://gitlab.com/QEF/q-e/-/tree/3ec392ecee8a83958789d31be5737adac07974ba/HP/examples/example02 to calculate hubbard parameter for my antiferromagnetic insulator system which matches with previously reported values. The scf calculation with occupations

[QE-users] SCf convergence for antiferromagnetic insulator

2020-12-02 Thread Diship Srivastava
Hi, I had previously used procedure used in https://gitlab.com/QEF/q-e/-/tree/3ec392ecee8a83958789d31be5737adac07974ba/HP/examples/example02 to calculate hubbard parameter for my antiferromagnetic insulator system which matches with previously reported values. For scf calculation of my system