Using VASP

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Standard state energy

Last post by support_vasp « Wed Sep 11, 2024 2:30 pm
Replies: 1
by teabee » Thu Oct 14, 2010 11:02 am

1 Replies

1092 Views

Last post by support_vasp
Wed Sep 11, 2024 2:30 pm
WORK FUNCTION CAL OF METAL-SEMICONDUCTOR SYSTEM

Last post by support_vasp « Wed Sep 11, 2024 2:30 pm
Replies: 1
by Abdul Wasey » Tue Oct 12, 2010 10:44 am

1 Replies

1803 Views

Last post by support_vasp
Wed Sep 11, 2024 2:30 pm
valence electron change in LDA+U and core charge calculation

Last post by support_vasp « Wed Sep 11, 2024 2:30 pm
Replies: 1
by montywang » Fri Oct 08, 2010 1:21 am

1 Replies

1197 Views

Last post by support_vasp
Wed Sep 11, 2024 2:30 pm
Some questions regarding MD calculations

Last post by support_vasp « Wed Sep 11, 2024 2:30 pm
Replies: 1
by TING QIN » Wed Oct 06, 2010 9:33 am

1 Replies

2048 Views

Last post by support_vasp
Wed Sep 11, 2024 2:30 pm
inclusion of solvation effect

Last post by support_vasp « Wed Sep 11, 2024 2:30 pm
Replies: 1
by luke419 » Wed Oct 06, 2010 8:15 am

1 Replies

1649 Views

Last post by support_vasp
Wed Sep 11, 2024 2:30 pm
DOS problem with increasing k-POINTS

Last post by support_vasp « Wed Sep 11, 2024 2:30 pm
Replies: 1
by shpkl » Fri Oct 01, 2010 4:06 am

1 Replies

1359 Views

Last post by support_vasp
Wed Sep 11, 2024 2:30 pm
HSE for metals

Last post by support_vasp « Wed Sep 11, 2024 2:30 pm
Replies: 1
by rgc » Wed Sep 29, 2010 10:31 am

1 Replies

1389 Views

Last post by support_vasp
Wed Sep 11, 2024 2:30 pm
Setting for trigonal (P-3m1, 164) for elastic constant calculation

Last post by support_vasp « Wed Sep 11, 2024 2:30 pm
Replies: 1
by babaleo » Wed Nov 17, 2010 1:52 pm

1 Replies

1254 Views

Last post by support_vasp
Wed Sep 11, 2024 2:30 pm
How to simulate XPS by using VASP.

Last post by support_vasp « Wed Sep 11, 2024 2:29 pm
Replies: 1
by ljx2009 » Sun Nov 14, 2010 1:50 pm

1 Replies

1564 Views

Last post by support_vasp
Wed Sep 11, 2024 2:29 pm
Si(111) surface

Last post by support_vasp « Wed Sep 11, 2024 2:29 pm
Replies: 1
by Oscar_rp » Thu May 27, 2010 10:40 am

1 Replies

1183 Views

Last post by support_vasp
Wed Sep 11, 2024 2:29 pm
p4vasp - molecule geometry

Last post by support_vasp « Wed Sep 11, 2024 2:28 pm
Replies: 1
by benzoic acid » Wed Sep 29, 2010 10:31 am

1 Replies

1526 Views

Last post by support_vasp
Wed Sep 11, 2024 2:28 pm
VBM for indirect gap material

Last post by support_vasp « Wed Sep 11, 2024 2:28 pm
Replies: 1
by mamini » Wed Sep 29, 2010 9:47 am

1 Replies

1032 Views

Last post by support_vasp
Wed Sep 11, 2024 2:28 pm
band structure

Last post by support_vasp « Wed Sep 11, 2024 2:28 pm
Replies: 1
by apple » Tue Sep 28, 2010 3:11 am

1 Replies

1130 Views

Last post by support_vasp
Wed Sep 11, 2024 2:28 pm
ERROR from PRICEL

Last post by support_vasp « Wed Sep 11, 2024 2:28 pm
Replies: 1
by okuno » Wed Sep 22, 2010 8:36 am

1 Replies

1589 Views

Last post by support_vasp
Wed Sep 11, 2024 2:28 pm
For charged molecule relaxation, dipole correction is needed?

Last post by support_vasp « Wed Sep 11, 2024 2:27 pm
Replies: 1
by cenwanglai » Tue Sep 21, 2010 6:45 am

1 Replies

1458 Views

Last post by support_vasp
Wed Sep 11, 2024 2:27 pm
Negative DOS and ISMEAR=-5

Last post by support_vasp « Wed Sep 11, 2024 2:27 pm
Replies: 1
by limkr » Mon Sep 20, 2010 7:33 pm

1 Replies

1490 Views

Last post by support_vasp
Wed Sep 11, 2024 2:27 pm
Basic question

Last post by support_vasp « Wed Sep 11, 2024 2:27 pm
Replies: 1
by susantt » Mon Sep 13, 2010 12:07 am

1 Replies

1001 Views

Last post by support_vasp
Wed Sep 11, 2024 2:27 pm
the dissociation energy

Last post by support_vasp « Wed Sep 11, 2024 2:27 pm
Replies: 1
by yidiandian1981 » Fri Sep 10, 2010 8:36 am

1 Replies

902 Views

Last post by support_vasp
Wed Sep 11, 2024 2:27 pm
Restart only from CONTCAR (NO WAVECAR)

Last post by support_vasp « Wed Sep 11, 2024 2:27 pm
Replies: 1
by giacomo giorgi » Fri Sep 10, 2010 8:24 am

1 Replies

1280 Views

Last post by support_vasp
Wed Sep 11, 2024 2:27 pm
HSE optics calculation, heavy element having f electrons

Last post by support_vasp « Wed Sep 11, 2024 2:27 pm
Replies: 1
by tilak » Thu Sep 09, 2010 2:24 pm

1 Replies

1284 Views

Last post by support_vasp
Wed Sep 11, 2024 2:27 pm

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