From 8f2dc53a56cbe920a3716f5914c160624aca25d5 Mon Sep 17 00:00:00 2001
From: shaoxc <shaoxcnmg@gmail.com>
Date: Tue, 19 Nov 2024 22:14:22 +0800
Subject: [PATCH] update doc

---
 README.md              |  6 +++---
 doc/source/faq.rst     | 10 ++++++++++
 doc/source/install.rst | 13 ++++++-------
 3 files changed, 19 insertions(+), 10 deletions(-)

diff --git a/README.md b/README.md
index 81fab08..a7f2017 100644
--- a/README.md
+++ b/README.md
@@ -12,10 +12,10 @@
  - NSF for funding the Quantum-Multiscale collaboration
 
 ## Requirements
- - [Python](https://www.python.org/) (>=3.8)
- - [NumPy](https://docs.scipy.org/doc/numpy/reference/) (>=1.18.0)
- - [f90wrap](https://github.com/jameskermode/f90wrap) (>=0.2.8)
  - [Quantum ESPRESSO ](https://gitlab.com/QEF/q-e/-/releases/qe-7.2) (==7.2)
+ - [Python](https://www.python.org/) (>=3.8)
+ - [NumPy](https://docs.scipy.org/doc/numpy/reference/)
+ - [f90wrap](https://github.com/jameskermode/f90wrap)
  - Compiler ([GNU](https://gcc.gnu.org/fortran/)(Recommended) or [Intel](https://software.intel.com/content/www/us/en/develop/tools/oneapi/components/fortran-compiler.html))
 
 ## Installation
diff --git a/doc/source/faq.rst b/doc/source/faq.rst
index f85c36e..a805ba1 100644
--- a/doc/source/faq.rst
+++ b/doc/source/faq.rst
@@ -13,9 +13,19 @@ What is the `tddft=yes`?
 
   Support real-time TDDFT by using `ce-tddft <https://github.com/dceresoli/ce-tddft>`__. And the real-time TDDFT also support adding/replacing external potential.
 
+Can I use CMake for QE installation?
+------------------------------------
+
+  No. Please use the traditional `configure` way to compile QE.
+
 Running
 =======
 
+*Error in routine allocate_fft* or *Error in routine  fft_type_set*
+-------------------------------------------------------------------
+
+  The qepy has to be imported before the mpi4py package. The simplest approach to fix is add ``import qepy`` as the first line of the script.
+
 Some Intel MKL errors occur. What do I do?
 ----------------------------------------------
 
diff --git a/doc/source/install.rst b/doc/source/install.rst
index 35faaa3..d23db05 100644
--- a/doc/source/install.rst
+++ b/doc/source/install.rst
@@ -8,12 +8,11 @@ Requirements
 ============
 
 -  `Python <https://www.python.org/>`__ (>=3.8)
--  `NumPy <https://docs.scipy.org/doc/numpy/reference/>`__ (>=1.18.0)
--  `f90wrap <https://github.com/jameskermode/f90wrap>`__ (>=0.2.14)
--  `Quantum ESPRESSO <https://gitlab.com/QEF/q-e/-/releases/qe-7.2>`__
-   (==7.2)
+-  `Quantum ESPRESSO <https://gitlab.com/QEF/q-e/-/releases/qe-7.2>`__ (==7.2)
+-  `NumPy <https://numpy.org/doc/stable/reference/>`__ 
+-  `f90wrap <https://github.com/jameskermode/f90wrap>`__ 
 -  Compiler (`GNU <https://gcc.gnu.org/fortran/>`__\ (Recommended) or
-   `Intel <https://software.intel.com/content/www/us/en/develop/tools/oneapi/components/fortran-compiler.html>`__)
+   `Intel <https://www.intel.com/content/www/us/en/developer/tools/oneapi/fortran-compiler.html>`__)
 
 Optional (highly recommended):
 ------------------------------
@@ -45,13 +44,13 @@ You can download the ``QEpy`` source file from `gitlab <https://gitlab.com/shaox
    .. code:: shell
 
       git clone --recurse-submodules https://gitlab.com/shaoxc/qepy.git
-      python -m pip install -U ./qepy
+      python -m pip install ./qepy
    
 or with all features:
 
    .. code:: shell
 
-      oldxml=yes ldau=yes tddft=yes python -m pip install -U ./qepy
+      tddft=yes python -m pip install ./qepy
 
 
 Example on Ubuntu 22.04