Using VASP

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Fermi energy above the conduction band minimum

Last post by support_vasp « Wed Sep 11, 2024 3:12 pm
Replies: 1
by phonics » Fri Jul 05, 2019 10:08 am

1 Replies

3006 Views

Last post by support_vasp
Wed Sep 11, 2024 3:12 pm
17O NMR calculation

Last post by support_vasp « Wed Sep 11, 2024 3:11 pm
Replies: 1
by farahnaz.mlk » Tue Jul 02, 2019 9:28 am

1 Replies

2847 Views

Last post by support_vasp
Wed Sep 11, 2024 3:11 pm
Spin spiral calculation and periodic boundary condition

Last post by support_vasp « Wed Sep 11, 2024 3:11 pm
Replies: 1
by wenteli » Wed Jun 26, 2019 11:14 pm

1 Replies

3003 Views

Last post by support_vasp
Wed Sep 11, 2024 3:11 pm
SCAN (usage) and self-consistency

Last post by support_vasp « Wed Sep 11, 2024 3:11 pm
Replies: 1
by chrstphr » Sun Jun 09, 2019 10:40 am

1 Replies

3550 Views

Last post by support_vasp
Wed Sep 11, 2024 3:11 pm
How to calculate radial part of the wave function?

Last post by support_vasp « Wed Sep 11, 2024 3:11 pm
Replies: 1
by techlee » Fri Jun 07, 2019 1:50 am

1 Replies

2473 Views

Last post by support_vasp
Wed Sep 11, 2024 3:11 pm
Structural deformation under electric field

Last post by support_vasp « Wed Sep 11, 2024 3:10 pm
Replies: 1
by ipark008 » Tue Jun 04, 2019 10:21 pm

1 Replies

2601 Views

Last post by support_vasp
Wed Sep 11, 2024 3:10 pm
Why am I getting substantially different energy values when

Last post by support_vasp « Wed Sep 11, 2024 3:10 pm
Replies: 1
by gcates » Tue May 28, 2019 6:26 pm

1 Replies

2759 Views

Last post by support_vasp
Wed Sep 11, 2024 3:10 pm
AECCAR0 has NaN value during charge calculation

Last post by support_vasp « Wed Sep 11, 2024 3:10 pm
Replies: 1
by mdhossain » Sat May 25, 2019 10:12 pm

1 Replies

3448 Views

Last post by support_vasp
Wed Sep 11, 2024 3:10 pm
Convergence criteria "EDIFFG" does not fulfill during relax

Last post by support_vasp « Wed Sep 11, 2024 3:09 pm
Replies: 1
by mdhossain » Thu May 23, 2019 12:53 am

1 Replies

2949 Views

Last post by support_vasp
Wed Sep 11, 2024 3:09 pm
How to convert unit used in vasp to SI unit?

Last post by support_vasp « Wed Sep 11, 2024 3:09 pm
Replies: 1
by KurtG » Wed Apr 24, 2019 5:11 am

1 Replies

3041 Views

Last post by support_vasp
Wed Sep 11, 2024 3:09 pm
Is UNK file for Wannier90 All-electron wave functions?

Last post by support_vasp « Wed Sep 11, 2024 3:09 pm
Replies: 1
by nwan » Sun Mar 31, 2019 1:12 pm

1 Replies

3699 Views

Last post by support_vasp
Wed Sep 11, 2024 3:09 pm
PARCHG with LSORBIT=.TRUE., seems not correct

Last post by support_vasp « Wed Sep 11, 2024 3:09 pm
Replies: 1
by cslin » Fri Mar 29, 2019 2:40 am

1 Replies

2697 Views

Last post by support_vasp
Wed Sep 11, 2024 3:09 pm
CHG file format of LSORBIT

Last post by support_vasp « Wed Sep 11, 2024 3:09 pm
Replies: 1
by cslin » Fri Mar 29, 2019 2:22 am

1 Replies

2658 Views

Last post by support_vasp
Wed Sep 11, 2024 3:09 pm
Non-collinear spin calculations with LORBIT 2 or 12

Last post by support_vasp « Wed Sep 11, 2024 3:09 pm
Replies: 1
by uthpala » Tue Mar 26, 2019 5:29 pm

1 Replies

2983 Views

Last post by support_vasp
Wed Sep 11, 2024 3:09 pm
Wannier90 3.0

Last post by support_vasp « Wed Sep 11, 2024 3:09 pm
Replies: 1
by d.pshenay » Thu Mar 07, 2019 8:48 am

1 Replies

3055 Views

Last post by support_vasp
Wed Sep 11, 2024 3:09 pm
Multiple Walkers in Metadynamics

Last post by support_vasp « Wed Sep 11, 2024 3:08 pm
Replies: 1
by yogvjosh » Mon Mar 04, 2019 6:04 pm

1 Replies

2954 Views

Last post by support_vasp
Wed Sep 11, 2024 3:08 pm
Default atomic masses and their rationale

Last post by support_vasp « Wed Sep 11, 2024 3:08 pm
Replies: 1
by agtonner » Fri Feb 22, 2019 3:55 pm

1 Replies

2638 Views

Last post by support_vasp
Wed Sep 11, 2024 3:08 pm
Phase in PROCAR (LORBIT=2 or 12~14) with SOC

Last post by support_vasp « Wed Sep 11, 2024 3:08 pm
Replies: 2
by leedairo2 » Sun Nov 01, 2020 8:23 am

2 Replies

3472 Views

Last post by support_vasp
Wed Sep 11, 2024 3:08 pm
augmentation charge CQIJ

Last post by support_vasp « Wed Sep 11, 2024 3:08 pm
Replies: 1
by xiaoming_wang » Mon Sep 07, 2020 9:06 am

1 Replies

2818 Views

Last post by support_vasp
Wed Sep 11, 2024 3:08 pm
orbital magnetization

Last post by support_vasp « Wed Sep 11, 2024 3:08 pm
Replies: 1
by xiaoming_wang » Sat Jul 04, 2020 4:12 am

1 Replies

3764 Views

Last post by support_vasp
Wed Sep 11, 2024 3:08 pm

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