mirror of
https://github.com/triqs/dft_tools
synced 2024-12-23 04:43:42 +01:00
Final small correction to Tutorials.
This commit is contained in:
parent
c591fe351e
commit
fae8887f4f
@ -25,7 +25,7 @@ For details refer to the VASP wiki on the `LOCPROJ <https://cms.mpi.univi
|
|||||||
e.ac.at/wiki/index.php/LOCPROJ>`_ flag. The projectors are stored in the file `LOCPROJ`.
|
e.ac.at/wiki/index.php/LOCPROJ>`_ flag. The projectors are stored in the file `LOCPROJ`.
|
||||||
|
|
||||||
|
|
||||||
plovasp
|
PLOVASP
|
||||||
------------------------------
|
------------------------------
|
||||||
Next, we postprocess the projectors, which VASP stored in the file `LOCPROJ`.
|
Next, we postprocess the projectors, which VASP stored in the file `LOCPROJ`.
|
||||||
We do this by invoking :program:`plovasp plo.cfg` which is configured by an input file, e.g., named :ref:`plo.cfg`.
|
We do this by invoking :program:`plovasp plo.cfg` which is configured by an input file, e.g., named :ref:`plo.cfg`.
|
||||||
|
@ -92,7 +92,7 @@
|
|||||||
"name": "stderr",
|
"name": "stderr",
|
||||||
"output_type": "stream",
|
"output_type": "stream",
|
||||||
"text": [
|
"text": [
|
||||||
"Starting run with 1 MPI rank(s) at : 2019-12-04 22:26:08.145620\n"
|
"Starting run with 1 MPI rank(s) at : 2019-12-05 16:12:52.689539\n"
|
||||||
]
|
]
|
||||||
}
|
}
|
||||||
],
|
],
|
||||||
@ -131,7 +131,7 @@
|
|||||||
},
|
},
|
||||||
{
|
{
|
||||||
"cell_type": "code",
|
"cell_type": "code",
|
||||||
"execution_count": 28,
|
"execution_count": 3,
|
||||||
"metadata": {},
|
"metadata": {},
|
||||||
"outputs": [
|
"outputs": [
|
||||||
{
|
{
|
||||||
@ -196,7 +196,7 @@
|
|||||||
"\n",
|
"\n",
|
||||||
"Evaluating DOS...\n",
|
"Evaluating DOS...\n",
|
||||||
" Shell 1\n",
|
" Shell 1\n",
|
||||||
" Total number of states: [[[1.99490462 0.21151785 0.00581811]]]\n",
|
" Total number of states: [[[7.33737319 7.48285647 7.28002405]]]\n",
|
||||||
" Storing ctrl-file...\n",
|
" Storing ctrl-file...\n",
|
||||||
" Storing PLO-group file 'vasp.pg1'...\n",
|
" Storing PLO-group file 'vasp.pg1'...\n",
|
||||||
" Density within window: 0.9999741659673522\n"
|
" Density within window: 0.9999741659673522\n"
|
||||||
@ -265,7 +265,7 @@
|
|||||||
},
|
},
|
||||||
{
|
{
|
||||||
"cell_type": "code",
|
"cell_type": "code",
|
||||||
"execution_count": 24,
|
"execution_count": 5,
|
||||||
"metadata": {},
|
"metadata": {},
|
||||||
"outputs": [],
|
"outputs": [],
|
||||||
"source": [
|
"source": [
|
||||||
@ -284,7 +284,7 @@
|
|||||||
},
|
},
|
||||||
{
|
{
|
||||||
"cell_type": "code",
|
"cell_type": "code",
|
||||||
"execution_count": 26,
|
"execution_count": 6,
|
||||||
"metadata": {},
|
"metadata": {},
|
||||||
"outputs": [
|
"outputs": [
|
||||||
{
|
{
|
||||||
|
Loading…
Reference in New Issue
Block a user