Using VASP

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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

4210 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

3052 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

2978 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

2677 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

3623 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

3203 Views

Last post by support_vasp
Wed Sep 11, 2024 3:45 pm
How to calculate dipole moment in VASP code?

Last post by support_vasp « Wed Sep 11, 2024 3:45 pm
Replies: 1
by zhibin » Wed Sep 20, 2017 5:55 pm

1 Replies

7347 Views

Last post by support_vasp
Wed Sep 11, 2024 3:45 pm
ERROR in subspace rotation PSSYEVX: not enough eigenvalues

Last post by support_vasp « Wed Sep 11, 2024 3:44 pm
Replies: 1
by mdhossain » Sat Aug 26, 2017 6:13 am

1 Replies

5118 Views

Last post by support_vasp
Wed Sep 11, 2024 3:44 pm
What to set for ISMEAR for MoS2

Last post by support_vasp « Wed Sep 11, 2024 3:44 pm
Replies: 1
by argon214 » Fri Aug 25, 2017 6:36 pm

1 Replies

2596 Views

Last post by support_vasp
Wed Sep 11, 2024 3:44 pm
High Ueff for semiconductor surfaces shows bad convergence

Last post by support_vasp « Wed Sep 11, 2024 3:44 pm
Replies: 1
by Somil Gupta » Tue Aug 22, 2017 9:32 am

1 Replies

2652 Views

Last post by support_vasp
Wed Sep 11, 2024 3:44 pm
attempt frequency calculation by vasp and phonopy

Last post by support_vasp « Wed Sep 11, 2024 3:44 pm
Replies: 1
by ljzhang123 » Sat Aug 19, 2017 9:17 am

1 Replies

2835 Views

Last post by support_vasp
Wed Sep 11, 2024 3:44 pm
Born effective charge vs K-mesh

Last post by support_vasp « Wed Sep 11, 2024 3:44 pm
Replies: 1
by cslin » Tue Aug 15, 2017 4:27 am

1 Replies

2611 Views

Last post by support_vasp
Wed Sep 11, 2024 3:44 pm
Magnetic Susceptibility Calculation using Chemical Shift

Last post by support_vasp « Wed Sep 11, 2024 3:44 pm
Replies: 1
by kkang14 » Mon Aug 14, 2017 3:36 pm

1 Replies

3314 Views

Last post by support_vasp
Wed Sep 11, 2024 3:44 pm
Reference point for Density of States

Last post by support_vasp « Wed Sep 11, 2024 3:44 pm
Replies: 1
by malm21 » Thu Jun 08, 2017 10:24 pm

1 Replies

2522 Views

Last post by support_vasp
Wed Sep 11, 2024 3:44 pm
Using background charge

Last post by support_vasp « Wed Sep 11, 2024 3:44 pm
Replies: 1
by amirs » Tue Jun 06, 2017 5:32 pm

1 Replies

2526 Views

Last post by support_vasp
Wed Sep 11, 2024 3:44 pm
Protocols for transition state searches

Last post by support_vasp « Wed Sep 11, 2024 3:43 pm
Replies: 1
by Tobias Kraemer » Fri May 19, 2017 9:12 am

1 Replies

3751 Views

Last post by support_vasp
Wed Sep 11, 2024 3:43 pm
How to define LANGEVIN_GAMMA, LANGEVIN_GAMMA_L and PMASS par

Last post by support_vasp « Wed Sep 11, 2024 3:43 pm
Replies: 1
by nykondalu » Thu May 17, 2018 3:21 am

1 Replies

4133 Views

Last post by support_vasp
Wed Sep 11, 2024 3:43 pm
Binding energy of C 1s by ICORELEVEL tag

Last post by support_vasp « Wed Sep 11, 2024 3:43 pm
Replies: 1
by ljzhang123 » Mon Apr 30, 2018 3:47 pm

1 Replies

2719 Views

Last post by support_vasp
Wed Sep 11, 2024 3:43 pm
Dipole correction position in OUTCAR

Last post by support_vasp « Wed Sep 11, 2024 3:43 pm
Replies: 1
by augolotti » Fri Apr 20, 2018 10:32 pm

1 Replies

3646 Views

Last post by support_vasp
Wed Sep 11, 2024 3:43 pm
LOCPOT file...Second data-set

Last post by support_vasp « Wed Sep 11, 2024 3:43 pm
Replies: 1
by DannyVanpoucke » Mon Apr 16, 2018 2:03 pm

1 Replies

2883 Views

Last post by support_vasp
Wed Sep 11, 2024 3:43 pm

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