Using VASP

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I_CONSTRAINED_M=2

Last post by support_vasp « Thu Sep 12, 2024 6:55 am
Replies: 1
by sd » Tue Mar 07, 2017 7:00 am

1 Replies

1736 Views

Last post by support_vasp
Thu Sep 12, 2024 6:55 am
Advanced Tricks for Breaking Symmetry

Last post by support_vasp « Thu Sep 12, 2024 6:55 am
Replies: 1
by lizd » Tue Mar 07, 2017 6:59 am

1 Replies

1751 Views

Last post by support_vasp
Thu Sep 12, 2024 6:55 am
The energy is not converged for HSE06 with SOC calculation

Last post by support_vasp « Thu Sep 12, 2024 6:55 am
Replies: 1
by VASP001 » Fri Feb 24, 2017 3:13 am

1 Replies

1668 Views

Last post by support_vasp
Thu Sep 12, 2024 6:55 am
pair distribution function

Last post by support_vasp « Thu Sep 12, 2024 6:54 am
Replies: 1
by sandeep.kumar » Mon Feb 13, 2017 3:10 pm

1 Replies

1756 Views

Last post by support_vasp
Thu Sep 12, 2024 6:54 am
Vasp5.4.1 - BRMIX: old and new charge density differ

Last post by support_vasp « Thu Sep 12, 2024 6:54 am
Replies: 1
by pgarg8 » Fri Feb 03, 2017 6:27 pm

1 Replies

2978 Views

Last post by support_vasp
Thu Sep 12, 2024 6:54 am
Problem getting correct wavefunction

Last post by support_vasp « Thu Sep 12, 2024 6:54 am
Replies: 1
by zahra » Mon Jan 09, 2017 10:47 pm

1 Replies

1494 Views

Last post by support_vasp
Thu Sep 12, 2024 6:54 am
What terminates the cycle for hybrid HSE run?

Last post by support_vasp « Thu Sep 12, 2024 6:54 am
Replies: 1
by hess8 » Wed Nov 30, 2016 5:20 pm

1 Replies

1617 Views

Last post by support_vasp
Thu Sep 12, 2024 6:54 am
How to include spin orbit coupling for Pb in perovskite

Last post by support_vasp « Thu Sep 12, 2024 6:54 am
Replies: 1
by kalpna » Sat Nov 26, 2016 3:50 pm

1 Replies

1908 Views

Last post by support_vasp
Thu Sep 12, 2024 6:54 am
Calculating the effective mass

Last post by support_vasp « Thu Sep 12, 2024 6:53 am
Replies: 1
by hat343 » Tue Nov 22, 2016 7:29 am

1 Replies

1973 Views

Last post by support_vasp
Thu Sep 12, 2024 6:53 am
Calculation of polarization

Last post by support_vasp « Thu Sep 12, 2024 6:53 am
Replies: 1
by Iyyapparajan » Thu Nov 10, 2016 7:02 am

1 Replies

2076 Views

Last post by support_vasp
Thu Sep 12, 2024 6:53 am
AGGAC and BEEF-vdW

Last post by lucas.spiske « Wed Sep 11, 2024 6:42 pm
Replies: 2
by lucas.spiske » Tue Sep 10, 2024 10:55 am

2 Replies

686 Views

Last post by lucas.spiske
Wed Sep 11, 2024 6:42 pm
The direction of the magnetization with vasp_ncl

Last post by support_vasp « Wed Sep 11, 2024 3:46 pm
Replies: 1
by tak10 » Mon Jan 15, 2018 8:07 am

1 Replies

2066 Views

Last post by support_vasp
Wed Sep 11, 2024 3:46 pm
Electronic Entropy from OUTCAR

Last post by support_vasp « Wed Sep 11, 2024 3:46 pm
Replies: 1
by rajeshraju » Tue Jan 09, 2018 1:20 pm

1 Replies

2348 Views

Last post by support_vasp
Wed Sep 11, 2024 3:46 pm
Combining finite electric field with spin orbit interaction

Last post by support_vasp « Wed Sep 11, 2024 3:46 pm
Replies: 1
by umklapp_sai » Sat Dec 02, 2017 5:30 pm

1 Replies

3384 Views

Last post by support_vasp
Wed Sep 11, 2024 3:46 pm
Atomization energy calculation in VASP.

Last post by support_vasp « Wed Sep 11, 2024 3:46 pm
Replies: 1
by Bikash_Patra » Thu Nov 16, 2017 2:29 pm

1 Replies

3284 Views

Last post by support_vasp
Wed Sep 11, 2024 3:46 pm
Imaginary modes

Last post by support_vasp « Wed Sep 11, 2024 3:46 pm
Replies: 1
by Tobias Kraemer » Mon Nov 13, 2017 12:39 pm

1 Replies

2165 Views

Last post by support_vasp
Wed Sep 11, 2024 3:46 pm
Need Momentum Matrix Element for Charge Transport Calculatio

Last post by support_vasp « Wed Sep 11, 2024 3:46 pm
Replies: 1
by debmalya760 » Thu Nov 09, 2017 9:12 pm

1 Replies

2147 Views

Last post by support_vasp
Wed Sep 11, 2024 3:46 pm
Total Energy from Density of States

Last post by support_vasp « Wed Sep 11, 2024 3:45 pm
Replies: 1
by spicykamal » Wed Nov 08, 2017 3:57 pm

1 Replies

1746 Views

Last post by support_vasp
Wed Sep 11, 2024 3:45 pm
Optical properties for spin polarizaed case

Last post by support_vasp « Wed Sep 11, 2024 3:45 pm
Replies: 1
by ravi » Sun Oct 08, 2017 12:03 pm

1 Replies

2849 Views

Last post by support_vasp
Wed Sep 11, 2024 3:45 pm
HSE band structure does not commensurate with GGA result

Last post by support_vasp « Wed Sep 11, 2024 3:45 pm
Replies: 1
by Kester » Fri Sep 29, 2017 8:27 am

1 Replies

2201 Views

Last post by support_vasp
Wed Sep 11, 2024 3:45 pm

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