Commit 50165f75 authored by Marco Govoni's avatar Marco Govoni
Browse files

Updated tutorial west_300

parent 1d43735c
......@@ -58,20 +58,23 @@
We now create a session on the remote server.
%% Cell type:code id: tags:
``` python
session = Session("marco.outatime@gmail.com")
session = Session("your.email@domain.edu")
```
%% Cell type:code id: tags:
``` python
status = session.status()
print(status)
session.status()
```
%%%% Output: execute_result
{'Active': 'True', 'Time Left': '59 minutes'}
%% Cell type:code id: tags:
``` python
download = ["http://www.quantum-simulation.org/potentials/sg15_oncv/upf/C_ONCV_PBE-1.0.upf","http://www.quantum-simulation.org/potentials/sg15_oncv/upf/H_ONCV_PBE-1.0.upf"]
pw_output = session.run("pw","pw.in","pw.out",download,3)
......@@ -107,25 +110,24 @@
We now generate the input for `wfreq.x`.
%% Cell type:code id: tags:
``` python
data = {}
data["wfreq_control"] = {}
data["wfreq_control"]["wfreq_calculation"] = "XWGQ"
data["wfreq_control"]["n_pdep_eigen_to_use"] = 50
data["wfreq_control"]["n_pdep_eigen_to_use"] = 5
data["wfreq_control"]["qp_bandrange"] = [1,5]
data["wfreq_control"]["n_refreq"] = 300
data["wfreq_control"]["ecut_refreq"] = 2.0
writeJsonFile("wfreq.in",data)
```
%% Cell type:code id: tags:
``` python
wfreq_output = session.run("wfreq","wfreq.in","wfreq.out",3)
wfreq_output = session.run("wfreq","wfreq.in","wfreq.out",download,3)
```
%% Cell type:markdown id: tags:
We now stop the session.
......@@ -134,10 +136,14 @@
``` python
session.stop()
```
%%%% Output: execute_result
{'Success': 'Session removed and cleared'}
%% Cell type:code id: tags:
``` python
```
......
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