Using VASP

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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

3636 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

2666 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

2805 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

2635 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

2337 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

3025 Views

Last post by support_vasp
Wed Sep 11, 2024 3:42 pm
Magnetic anisotropy with hybrid functionals

Last post by support_vasp « Wed Sep 11, 2024 3:42 pm
Replies: 1
by kuh » Fri Mar 23, 2018 3:52 am

1 Replies

2610 Views

Last post by support_vasp
Wed Sep 11, 2024 3:42 pm
Strange magnetization results of Pd Palladium

Last post by support_vasp « Wed Sep 11, 2024 3:42 pm
Replies: 1
by byin » Mon Mar 19, 2018 5:39 pm

1 Replies

2892 Views

Last post by support_vasp
Wed Sep 11, 2024 3:42 pm
Parity using WAVECAR?

Last post by support_vasp « Wed Sep 11, 2024 3:41 pm
Replies: 1
by sandeep.kumar » Wed Mar 14, 2018 11:40 am

1 Replies

2591 Views

Last post by support_vasp
Wed Sep 11, 2024 3:41 pm
Orbital-resolved magnetic anisotropy energies

Last post by support_vasp « Wed Sep 11, 2024 3:41 pm
Replies: 1
by Rarras » Tue Mar 13, 2018 6:39 pm

1 Replies

3451 Views

Last post by support_vasp
Wed Sep 11, 2024 3:41 pm
Linear response tddft using meta-GGA functional

Last post by support_vasp « Wed Sep 11, 2024 3:41 pm
Replies: 1
by subrata » Sat Mar 10, 2018 6:34 pm

1 Replies

2493 Views

Last post by support_vasp
Wed Sep 11, 2024 3:41 pm
all electron total energy (valence and core) available?

Last post by support_vasp « Wed Sep 11, 2024 3:41 pm
Replies: 1
by stesch » Tue Mar 06, 2018 10:43 am

1 Replies

2464 Views

Last post by support_vasp
Wed Sep 11, 2024 3:41 pm
The CDFT+HSE06 is not convergence

Last post by support_vasp « Wed Sep 11, 2024 3:41 pm
Replies: 1
by VASP001 » Fri Mar 02, 2018 2:42 am

1 Replies

3077 Views

Last post by support_vasp
Wed Sep 11, 2024 3:41 pm
optical transitions in vasprun.xml

Last post by support_vasp « Wed Sep 11, 2024 3:41 pm
Replies: 1
by dahvyd.wing » Thu Mar 01, 2018 2:59 pm

1 Replies

2301 Views

Last post by support_vasp
Wed Sep 11, 2024 3:41 pm
why ELFCAR results are different with different NPAR

Last post by support_vasp « Wed Sep 11, 2024 3:40 pm
Replies: 1
by montywang » Sun Feb 11, 2018 3:08 pm

1 Replies

2360 Views

Last post by support_vasp
Wed Sep 11, 2024 3:40 pm
Implementation of HSE with external electric filed

Last post by support_vasp « Wed Sep 11, 2024 3:40 pm
Replies: 1
by konda.physics@gmail.com » Mon Feb 05, 2018 12:01 am

1 Replies

2425 Views

Last post by support_vasp
Wed Sep 11, 2024 3:40 pm
Same NEB run in two versions giving different output.

Last post by support_vasp « Wed Sep 11, 2024 3:40 pm
Replies: 1
by anilboda » Tue Jan 15, 2019 1:38 pm

1 Replies

2531 Views

Last post by support_vasp
Wed Sep 11, 2024 3:40 pm
how to calculate effective mass

Last post by support_vasp « Wed Sep 11, 2024 3:40 pm
Replies: 1
by Shogo » Tue Jan 08, 2019 9:25 am

1 Replies

2985 Views

Last post by support_vasp
Wed Sep 11, 2024 3:40 pm
GW0 convergence vs NOMEGA

Last post by support_vasp « Wed Sep 11, 2024 3:40 pm
Replies: 1
by d.pshenay » Wed Dec 26, 2018 8:15 am

1 Replies

3629 Views

Last post by support_vasp
Wed Sep 11, 2024 3:40 pm
slab dipole moment correction in VASP

Last post by support_vasp « Wed Sep 11, 2024 3:40 pm
Replies: 1
by ymantz » Thu Dec 13, 2018 11:35 pm

1 Replies

4451 Views

Last post by support_vasp
Wed Sep 11, 2024 3:40 pm

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