Using VASP

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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

5667 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

4061 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

1735 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

1731 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

2008 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

1781 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

2558 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

1716 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

1821 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

2777 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

3231 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

1990 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

2914 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

2020 Views

Last post by support_vasp
Wed Sep 11, 2024 3:43 pm
Can we use VASP ionic relaxations for machine learning?

Last post by support_vasp « Wed Sep 11, 2024 3:43 pm
Replies: 1
by byin » Thu Apr 12, 2018 5:11 pm

1 Replies

2919 Views

Last post by support_vasp
Wed Sep 11, 2024 3:43 pm
TDHF calculation for structure optimization

Last post by support_vasp « Wed Sep 11, 2024 3:43 pm
Replies: 1
by Gu Chenjie » Tue Apr 10, 2018 4:59 am

1 Replies

1900 Views

Last post by support_vasp
Wed Sep 11, 2024 3:43 pm
indirect exciton binding energy

Last post by support_vasp « Wed Sep 11, 2024 3:42 pm
Replies: 1
by leegeunsik » Wed Apr 04, 2018 6:49 am

1 Replies

1986 Views

Last post by support_vasp
Wed Sep 11, 2024 3:42 pm
How can we calculate the power conversion efficiency in VASP

Last post by support_vasp « Wed Sep 11, 2024 3:42 pm
Replies: 1
by ashima29 » Tue Apr 03, 2018 6:23 am

1 Replies

1795 Views

Last post by support_vasp
Wed Sep 11, 2024 3:42 pm
antiferromagnetic static calculation get mag=-13.3597

Last post by support_vasp « Wed Sep 11, 2024 3:42 pm
Replies: 1
by huan0001 » Thu Mar 29, 2018 3:33 pm

1 Replies

1632 Views

Last post by support_vasp
Wed Sep 11, 2024 3:42 pm
vdw correction convergence problem

Last post by support_vasp « Wed Sep 11, 2024 3:42 pm
Replies: 1
by chrstphr » Sat Mar 24, 2018 11:39 am

1 Replies

2211 Views

Last post by support_vasp
Wed Sep 11, 2024 3:42 pm

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