Using VASP

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adsorption energy is too high when using optb88 correction

Last post by support_vasp « Wed Sep 11, 2024 3:07 pm
Replies: 1
by weiwen_pu » Mon Feb 10, 2020 3:16 pm

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2069 Views

Last post by support_vasp
Wed Sep 11, 2024 3:07 pm
Colossal total drifts of values ~0.5 eV/A

Last post by support_vasp « Wed Sep 11, 2024 3:07 pm
Replies: 1
by vasilii » Fri Feb 07, 2020 1:16 pm

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1902 Views

Last post by support_vasp
Wed Sep 11, 2024 3:07 pm
SCALEE for thermodynamic integration

Last post by support_vasp « Wed Sep 11, 2024 3:07 pm
Replies: 1
by liang_yuan1 » Thu Jan 23, 2020 11:38 am

1 Replies

2224 Views

Last post by support_vasp
Wed Sep 11, 2024 3:07 pm
how to obtain the matrix elements of Hamiltonian

Last post by support_vasp « Wed Sep 11, 2024 3:07 pm
Replies: 1
by siyuchen » Wed Jan 08, 2020 12:22 pm

1 Replies

1901 Views

Last post by support_vasp
Wed Sep 11, 2024 3:07 pm
EIGENVECTORS in OUTCAR ibrion=5,6

Last post by support_vasp « Wed Sep 11, 2024 3:06 pm
Replies: 1
by ietxeba » Mon Dec 09, 2019 2:10 pm

1 Replies

2617 Views

Last post by support_vasp
Wed Sep 11, 2024 3:06 pm
How to apply DLM (disordered local moment) approximation?

Last post by support_vasp « Wed Sep 11, 2024 3:06 pm
Replies: 1
by ldpanminghao » Mon Dec 02, 2019 5:01 am

1 Replies

2397 Views

Last post by support_vasp
Wed Sep 11, 2024 3:06 pm
DOS dependence on cell size

Last post by support_vasp « Wed Sep 11, 2024 3:06 pm
Replies: 1
by morteza » Thu Nov 14, 2019 11:53 pm

1 Replies

1746 Views

Last post by support_vasp
Wed Sep 11, 2024 3:06 pm
Why am getting error for the relaxation of H2 moelcule?

Last post by support_vasp « Wed Sep 11, 2024 3:06 pm
Replies: 1
by surinder » Thu Sep 12, 2019 9:56 am

1 Replies

1883 Views

Last post by support_vasp
Wed Sep 11, 2024 3:06 pm
Trying to understand details of pseudopotential input files for atoms

Last post by support_vasp « Wed Sep 11, 2024 3:05 pm
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by kira_selby » Tue Mar 29, 2022 2:30 pm

1 Replies

1968 Views

Last post by support_vasp
Wed Sep 11, 2024 3:05 pm
How to break the limit of number of NKPT>NKDIM

Last post by support_vasp « Wed Sep 11, 2024 3:04 pm
Replies: 1
by ryohei_nishioka » Fri Nov 06, 2020 10:57 am

1 Replies

2488 Views

Last post by support_vasp
Wed Sep 11, 2024 3:04 pm
Wannier90 with VASP (Problem in DOS-calculations)

Last post by support_vasp « Wed Sep 11, 2024 3:04 pm
Replies: 1
by najma_yaqoob » Wed Sep 29, 2021 12:03 pm

1 Replies

3407 Views

Last post by support_vasp
Wed Sep 11, 2024 3:04 pm
STM image in VASP

Last post by support_vasp « Wed Sep 11, 2024 3:04 pm
Replies: 1
by bipin_lamichhane1 » Thu Sep 30, 2021 4:40 pm

1 Replies

2942 Views

Last post by support_vasp
Wed Sep 11, 2024 3:04 pm
Questions about Non-collinear and SOC runs

Last post by support_vasp « Wed Sep 11, 2024 3:04 pm
Replies: 1
by hong_tang1 » Tue Sep 21, 2021 3:30 pm

1 Replies

2785 Views

Last post by support_vasp
Wed Sep 11, 2024 3:04 pm
P4VASP and partial DOS

Last post by support_vasp « Wed Sep 11, 2024 3:04 pm
Replies: 1
by hong_tang1 » Thu Oct 14, 2021 10:41 pm

1 Replies

4608 Views

Last post by support_vasp
Wed Sep 11, 2024 3:04 pm
What is the unit of frequency dependent DIELECTRIC FUNCTION

Last post by support_vasp « Wed Sep 11, 2024 3:01 pm
Replies: 1
by tronphy » Wed Oct 13, 2021 5:18 pm

1 Replies

3800 Views

Last post by support_vasp
Wed Sep 11, 2024 3:01 pm
About spin-orbit coupling: ERROR while reading WAVECAR, plane wave coefficients changed

Last post by support_vasp « Wed Sep 11, 2024 2:44 pm
Replies: 1
by gbliu » Tue Aug 30, 2011 3:07 pm

1 Replies

6931 Views

Last post by support_vasp
Wed Sep 11, 2024 2:44 pm
How to calculate the PDOS by USPP

Last post by support_vasp « Wed Sep 11, 2024 2:44 pm
Replies: 1
by yiranwang » Fri Aug 26, 2011 5:49 am

1 Replies

981 Views

Last post by support_vasp
Wed Sep 11, 2024 2:44 pm
Question regarding LCALCPOL

Last post by support_vasp « Wed Sep 11, 2024 2:44 pm
Replies: 1
by dmazumdar » Mon Aug 22, 2011 9:39 pm

1 Replies

2088 Views

Last post by support_vasp
Wed Sep 11, 2024 2:44 pm
C-type antiferromagnetism

Last post by support_vasp « Wed Sep 11, 2024 2:44 pm
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by with3534 » Fri Aug 19, 2011 10:02 am

1 Replies

1452 Views

Last post by support_vasp
Wed Sep 11, 2024 2:44 pm
About equilibrium volume, which scheme is more reasonable?

Last post by support_vasp « Wed Sep 11, 2024 2:44 pm
Replies: 1
by gbliu » Thu Aug 18, 2011 11:03 pm

1 Replies

1163 Views

Last post by support_vasp
Wed Sep 11, 2024 2:44 pm

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